SCHEMBL473665

SCHEMBL473665

COc1ccnc(N)c1I

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOS3 P29474 5/20 0.39
NOS2 P35228 5/20 0.39
NOS1 P29475 2/20 0.39
DYRK1A Q13627 2/20 0.38
IKBKB O14920 1/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
CDK5 Q00535 2/20 0.36
CDK5R1 Q15078 2/20 0.36
CCNT1 O60563 1/20 0.36
CCNA2 P20248 1/20 0.36
CDK2 P24941 1/20 0.36
CDK9 P50750 1/20 0.36
CCNA1 P78396 1/20 0.36
ALDH1A1 P00352 1/20 0.35
ADRA2B P18089 1/20 0.35
PTGS1 P23219 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
TLR8 Q9NR97 1/20 0.35
MET P08581 1/20 0.34

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
SCHEMBL21747795 0.80 SMN1; SMN2 (0.46) NOS3NOS2IKBKBNPC1RAB9A
SCHEMBL21747948 0.79 TLR8 (0.40) NOS3NOS2CDK5CDK5R1CCNT1
SCHEMBL2954177 0.78 NOS3 (0.52) NOS3NOS2NOS1DYRK1AIKBKB
SCHEMBL29745025 0.78 NOS3 (0.52) NOS3NOS2NOS1DYRK1AIKBKB
SCHEMBL24344928 0.77 MAOA (0.40) DYRK1ACDK5CDK5R1CCNT1CCNA2
SCHEMBL17254611 0.77 NOS2 (0.56) NOS3NOS2NOS1DYRK1AIKBKB
SCHEMBL22235384 0.77 NOS3 (0.41) NOS3NOS2NOS1DYRK1AIKBKB
SCHEMBL5942340 0.77 ALDH1A1 (0.39) IKBKBNPC1RAB9AALDH1A1
SCHEMBL22207151 0.75 DYRK1A (0.45) NOS3NOS2NOS1DYRK1AIKBKB
SCHEMBL22497887 0.75 NOS3 (0.39) NOS3NOS2NOS1DYRK1AIKBKB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240360156-A1 HETEROCYCLIC COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2024-10-31 US disclosed
CN-111467346-B Pyridone derivatives with tetrahydropyranylmethyl groups 第一三共株式会社 2023-05-16 CN disclosed
US-20220370440-A1 4-SUBSTITUTED PYRROLO[2,3-B]PYRIDINE AS ERBB MODULATORS USEFUL FOR TREATING CANCER LEAD DISCOVERY CENTER GMBH (DE) 2022-11-24 US disclosed
EP-3807274-B1 4-SUBSTITUTED PYRROLO[2,3-B]PYRIDINE AS ERBB MODULATORS USEFUL FOR TREATING CANCER LEAD DISCOVERY CENTER GMBH (DE) 2022-07-27 EP disclosed
US-11279713-B2 Heterocyclic compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2022-03-22 US disclosed
US-20220002277-A1 PYRIDONE DERIVATIVE HAVING TETRAHYDROPYRANYLMETHYL GROUP DAIICHI SANKYO COMPANY, LIMITED (JP) 2022-01-06 US disclosed
US-20220002277-A1 PYRIDONE DERIVATIVE HAVING TETRAHYDROPYRANYLMETHYL GROUP DAIICHI SANKYO COMPANY, LIMITED (JP) 2022-01-06 US disclosed
US-11208403-B2 Pyridone derivatives having tetrahydropyranylmethyl groups DAIICHI SANKYO COMPANY, LIMITED (JP) 2021-12-28 US disclosed
US-11208403-B2 Pyridone derivatives having tetrahydropyranylmethyl groups DAIICHI SANKYO COMPANY, LIMITED (JP) 2021-12-28 US disclosed
CN-109890823-B Fused azaheterocyclic compounds and their use as AMPA receptor modulators 詹森药业有限公司 2021-11-30 CN disclosed
WO-2012020848-A1 HETEROCYCLIC COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-02-16 WO disclosed
EP-2411389-A2 9H-PYRROLO[2,3-B: 5,4-C']DIPYRIDINE AZACARBOLINE DERIVATIVES, PREPARATION THEREOF, AND THERAPEUTIC USE THEREOF SANOFI (FR) 2012-02-01 EP disclosed
US-20110178053-A1 AZACARBOLINE DERIVATIVES, PREPARATION METHOD THEREOF AND THERAPEUTIC USE OF SAME SANOFI-AVENTIS (FR) 2011-07-21 US disclosed
US-20110178053-A1 AZACARBOLINE DERIVATIVES, PREPARATION METHOD THEREOF AND THERAPEUTIC USE OF SAME SANOFI-AVENTIS (FR) 2011-07-21 US disclosed
US-20110178053-A1 AZACARBOLINE DERIVATIVES, PREPARATION METHOD THEREOF AND THERAPEUTIC USE OF SAME SANOFI-AVENTIS (FR) 2011-07-21 US disclosed
EP-2303882-A2 AZACARBOLINE DERIVATIVES, PREPARATION METHOD THEREOF AND THERAPEUTIC USE OF SAME Sanofi-Aventis (FR) 2011-04-06 EP disclosed
WO-2010109084-A2 9H-PYRROLO[2,3-B: 5,4-C'] DIPYRIDINE AZACARBOLINE DERIVATIVES, PREPARATION THEREOF, AND THERAPEUTIC USE THEREOF SANOFI-AVENTIS (FR) 2010-09-30 WO disclosed
WO-2010109084-A2 9H-PYRROLO[2,3-B: 5,4-C'] DIPYRIDINE AZACARBOLINE DERIVATIVES, PREPARATION THEREOF, AND THERAPEUTIC USE THEREOF SANOFI-AVENTIS (FR) 2010-09-30 WO disclosed
WO-2009150381-A2 AZACARBOLINE DERIVATIVES, PREPARATION METHOD THEREOF AND THERAPEUTIC USE OF SAME SANOFI-AVENTIS (FR) 2009-12-17 WO disclosed
WO-2009150381-A2 AZACARBOLINE DERIVATIVES, PREPARATION METHOD THEREOF AND THERAPEUTIC USE OF SAME SANOFI-AVENTIS (FR) 2009-12-17 WO 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 (6 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-20220002277-A1 PYRIDONE DERIVATIVE HAVING TETRAHYDROPYRANYLMETHYL GROUP AXL, TYRO3, LCK NOS3 1606/4885NOS2 1717/4885NOS1 1438/4885
US-20240360156-A1 HETEROCYCLIC COMPOUND AND USE THEREOF GRIN1, GRIN2C, GRIN2A NOS3 641/4885NOS2 575/4885NOS1 418/4885
US-20110178053-A1 AZACARBOLINE DERIVATIVES, PREPARATION METHOD THEREOF AND THERAPEUTIC USE OF SAME AOC3, CBR3, IDH3B NOS3 773/4885NOS2 2633/4885NOS1 3094/4885
US-11279713-B2 Heterocyclic compound and use thereof GRIN1, GRIN2C, GRIN2A NOS3 641/4885NOS2 575/4885NOS1 418/4885
US-11208403-B2 Pyridone derivatives having tetrahydropyranylmethyl groups AXL, TYRO3, PDXK NOS3 1565/4885NOS2 1817/4885NOS1 1703/4885
US-20220370440-A1 4-SUBSTITUTED PYRROLO[2,3-B]PYRIDINE AS ERBB MODULATORS USEFUL FOR TREATING CANCER ERBB2, ERBB4, ERBB3 NOS3 2963/4885NOS2 3306/4885NOS1 3414/4885

“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.