SCHEMBL749404

SCHEMBL749404

O=Cc1cccc(-c2ccc3ncnn3c2)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 3/20 0.51
SCN5A Q14524 1/20 0.45
TRIM24 O15164 1/20 0.43
TRIM33 Q9UPN9 1/20 0.43
TGFBR1 P36897 3/20 0.43
DYRK2 Q92630 2/20 0.43
DYRK1B Q9Y463 2/20 0.43
DYRK3 O43781 1/20 0.43
CCNT1 O60563 1/20 0.43
CDK9 P50750 1/20 0.43
CDK5 Q00535 1/20 0.43
CDK5R1 Q15078 1/20 0.43
CA12 O43570 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CA9 Q16790 1/20 0.42
PIK3CD O00329 1/20 0.40
SLC6A2 P23975 4/20 0.40
SLC6A4 P31645 4/20 0.40
SLC6A3 Q01959 4/20 0.40

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL30014450 1.00 DYRK1A (0.51) DYRK1ASCN5ATRIM24TRIM33TGFBR1
SCHEMBL250157 0.76 DYRK1A (0.44) DYRK1ASCN5ATGFBR1PIK3CDTNIK
SCHEMBL12609895 0.76 DYRK1A (0.60) DYRK1ASCN5ATGFBR1DYRK1BPIK3CD
SCHEMBL30014288 0.75 DYRK1A (0.49) DYRK1ASCN5ATGFBR1PIK3CDSLC6A2
SCHEMBL24726652 0.74 DYRK1A (0.51) DYRK1ASCN5ATGFBR1PIK3CDSLC6A2
SCHEMBL30013771 0.74 EGLN2 (0.58) DYRK1ASCN5ATGFBR1MAPK14
SCHEMBL938164 0.73 DYRK1A (0.50) DYRK1ASCN5ATGFBR1PIK3CDSLC6A2
SCHEMBL30014056 0.72 TGFBR1 (0.53) DYRK1ASCN5ATGFBR1PIK3CDSCD
SCHEMBL30013812 0.72 DYRK1A (0.49) DYRK1ASCN5ATGFBR1PIK3CDSLC6A2
SCHEMBL11770226 0.72 TRIM24 (0.71) DYRK1ATRIM24TRIM33DYRK2DYRK1B

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 48 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4151210-A2 PYRIDINE-CARBOLINE DERIVATIVES AS MCHR1 ANTAGONISTS FOR USE IN THERAPY Harmony Biosciences, LLC (US) 2023-03-22 EP disclosed
US-20230084144-A1 THERAPEUTIC COMBINATIONS OF DRUGS AND METHODS OF USING THEM CONSYNANCE THERAPEUTICS INC (US) 2023-03-16 US disclosed
US-20230002377-A1 THERAPEUTIC COMBINATIONS OF DRUGS AND METHODS OF USING THEM HARMONY BIOSCIENCES MANAGEMENT, INC. 2023-01-05 US disclosed
EP-4076527-A1 THERAPEUTIC COMBINATIONS OF DRUGS AND METHODS OF USING THEM Consynance Therapeutics, Inc. (US) 2022-10-26 EP disclosed
EP-2429296-B1 7-([1,2,4,]TRIAZOLO[1,5,-A]PYRIDIN-6-YL)-4-(3,4-DICHLOROPHENYL)-1,2,3,4- TETRAHYDROISOQUINOLINE AND USE THEREOF ALBANY MOLECULAR RES INC (US) 2017-12-27 EP disclosed
EP-2429296-B1 7-([1,2,4,]TRIAZOLO[1,5,-A]PYRIDIN-6-YL)-4-(3,4-DICHLOROPHENYL)-1,2,3,4- TETRAHYDROISOQUINOLINE AND USE THEREOF ALBANY MOLECULAR RES INC (US) 2017-12-27 EP disclosed
US-9604960-B2 Aryl, heteroaryl, and heterocycle substituted tetrahydroisoquinolines and use thereof ALBANY MOLECULAR RESEARCH, INC. (US) 2017-03-28 US disclosed
US-9604960-B2 Aryl, heteroaryl, and heterocycle substituted tetrahydroisoquinolines and use thereof ALBANY MOLECULAR RESEARCH, INC. (US) 2017-03-28 US disclosed
US-9604960-B2 Aryl, heteroaryl, and heterocycle substituted tetrahydroisoquinolines and use thereof ALBANY MOLECULAR RESEARCH, INC. (US) 2017-03-28 US disclosed
US-9173879-B2 Crystalline forms of (S)-7-([1,2,4]triazolo[1,5-a ]pyridin-6-yl)-4-(3,4-dichlorophenyl)-1,2,3,4-tetrahydroisoquinoline and use thereof BRISTOL-MYERS SQUIBB COMPANY (US) 2015-11-03 US disclosed
WO-2010132442-A1 7-([1,2,4,]TRIAZOLO[1,5,-A]PYRIDIN-6-YL)-4-(3,4-DICHLOROPHENYL)-1,2,3,4- TETRAHYDROISOQUINOLINE AND USE THEREOF ALBANY MOLECULAR RESERCH, INC. (US) 2010-11-18 WO disclosed
WO-2010132487-A1 CRYSTALLINE FORMS OF (S)-7-([1,2,4]TRIAZOLO[1,5-a]PYRIDIN-6-YL)-4-(3,4-DICHLOROHPHENYL)-1,2,3,4-TETRAHYDROISOQUINOLINE AND USE THEREOF BRISTOL-MYERS SQUIBB COMPANY (US) 2010-11-18 WO disclosed
WO-2010132487-A1 CRYSTALLINE FORMS OF (S)-7-([1,2,4]TRIAZOLO[1,5-a]PYRIDIN-6-YL)-4-(3,4-DICHLOROHPHENYL)-1,2,3,4-TETRAHYDROISOQUINOLINE AND USE THEREOF BRISTOL-MYERS SQUIBB COMPANY (US) 2010-11-18 WO disclosed
WO-2010132437-A1 ARYL, HETEROARYL, AND HETEROCYCLE SUBSTITUTED TETRAHYDROISOQUINOLINES AND USE THEREOF ALBANY MOLECULAR RESEARCH, INC. (US) 2010-11-18 WO disclosed
WO-2010132437-A1 ARYL, HETEROARYL, AND HETEROCYCLE SUBSTITUTED TETRAHYDROISOQUINOLINES AND USE THEREOF ALBANY MOLECULAR RESEARCH, INC. (US) 2010-11-18 WO disclosed
WO-2010132442-A1 7-([1,2,4,]TRIAZOLO[1,5,-A]PYRIDIN-6-YL)-4-(3,4-DICHLOROPHENYL)-1,2,3,4- TETRAHYDROISOQUINOLINE AND USE THEREOF ALBANY MOLECULAR RESERCH, INC. (US) 2010-11-18 WO disclosed
US-20100292242-A1 ARYL, HETEROARYL, AND HETEROCYCLE SUBSTITUTED TETRAHYDROISOQUINOLINES AND USE THEREOF ALBANY MOLECULAR RESEARCH, INC. (US) 2010-11-18 US disclosed
US-20100292242-A1 ARYL, HETEROARYL, AND HETEROCYCLE SUBSTITUTED TETRAHYDROISOQUINOLINES AND USE THEREOF ALBANY MOLECULAR RESEARCH, INC. (US) 2010-11-18 US disclosed
US-20100292250-A1 CRYSTALLINE FORMS OF (S)-7-([1,2,4]TRIAZOLO[1,5-a]PYRIDIN-6-YL)-4-(3,4-DICHLOROPHENYL)-1,2,3,4- TETRAHYDROISOQUINOLINE AND USE THEREOF ALBANY MOLECULAR RESEARCH, INC. (US) 2010-11-18 US disclosed
US-20100292250-A1 CRYSTALLINE FORMS OF (S)-7-([1,2,4]TRIAZOLO[1,5-a]PYRIDIN-6-YL)-4-(3,4-DICHLOROPHENYL)-1,2,3,4- TETRAHYDROISOQUINOLINE AND USE THEREOF ALBANY MOLECULAR RESEARCH, INC. (US) 2010-11-18 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (4 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20230084144-A1 THERAPEUTIC COMBINATIONS OF DRUGS AND METHODS OF USING THEM MCHR1, MCHR2, MC1R DYRK1A 277/4885SCN5A 1932/4885TRIM24 3827/4885
US-20100292250-A1 CRYSTALLINE FORMS OF (S)-7-([1,2,4]TRIAZOLO[1,5-a]PYRIDIN-6-YL)-4-(3,4-DICHLOROPHENYL)-1,2,3,4- TETRAHYDROISOQUINOLINE AND USE THEREOF UACA, SCN1A, NLN DYRK1A 2676/4885SCN5A 34/4885TRIM24 3000/4885
US-20100292242-A1 ARYL, HETEROARYL, AND HETEROCYCLE SUBSTITUTED TETRAHYDROISOQUINOLINES AND USE THEREOF NLN, HTR3B, HTR2C DYRK1A 1990/4885SCN5A 516/4885TRIM24 4442/4885
US-20230002377-A1 THERAPEUTIC COMBINATIONS OF DRUGS AND METHODS OF USING THEM MCHR1, MCHR2, MC1R DYRK1A 358/4885SCN5A 2201/4885TRIM24 3368/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.