SCHEMBL3074174

SCHEMBL3074174

N#CCc1cnccc1C#N

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.42
KMT2A Q03164 2/20 0.40
MEN1 O00255 1/20 0.40
NCOA3 Q9Y6Q9 1/20 0.39
CYP19A1 P11511 3/20 0.38
TNF P01375 1/20 0.37
CYP11B1 P15538 1/20 0.36
CYP11B2 P19099 1/20 0.36
CCNC P24863 1/20 0.36
CDK8 P49336 1/20 0.36
ALDH1A1 P00352 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
CCNT1 O60563 1/20 0.35
CDK9 P50750 1/20 0.35
HASPIN Q8TF76 1/20 0.35
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
GPBAR1 Q8TDU6 1/20 0.33
SLC22A12 Q96S37 2/20 0.33
CHRNB2 P17787 1/20 0.33

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
SCHEMBL10526908 0.84 HTT (0.42) HTTKMT2AMEN1NCOA3TNF
SCHEMBL3670639 0.81 TNF (0.40) HTTKMT2AMEN1TNFCCNC
SCHEMBL37676938 0.81 TNF (0.40) HTTKMT2AMEN1TNFCCNC
SCHEMBL23674615 0.80 HTT (0.42) HTTKMT2AMEN1NCOA3CYP19A1
SCHEMBL4544610 0.80 CCNC (0.49) HTTKMT2AMEN1NCOA3CYP19A1
SCHEMBL7662114 0.80 HTT (0.42) HTTKMT2AMEN1NCOA3CYP19A1
SCHEMBL15467814 0.77 HTT (0.40) HTTKMT2AMEN1NCOA3CYP19A1
SCHEMBL7213436 0.77 CYP2E1 (0.47) HTTKMT2AMEN1NCOA3CYP19A1
SCHEMBL17807363 0.76 GAA (0.38) KMT2AMEN1TNFCCNCCDK8
SCHEMBL21689084 0.76 CYP17A1 (0.40) HTTTNFCYP11B1CYP11B2CCNC

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117069717-A 2, 6-naphthyridine micromolecule derivative and preparation method thereof 江汉大学 2023-11-17 CN disclosed
WO-2022263531-A1 ACTIVE-MATRIX OLED DISPLAY NOVALED GMBH (DE) 2022-12-22 WO disclosed
EP-4106027-A1 ACTIVE-MATRIX OLED DISPLAY Novaled GmbH (DE) 2022-12-21 EP disclosed
CN-108752296-A A kind of five-ring heterocycles derivative and its organic electroluminescence device 长春海谱润斯科技有限公司 2018-11-06 CN disclosed
US-7786177-B2 Phenylalanine enamide derivatives UCB PHARMA S.A. (BE) 2010-08-31 US disclosed
US-7645770-B2 Phenylalanine enamide derivatives UCB PHARMA S.A. (BE) 2010-01-12 US disclosed
US-20090186914-A1 Phenylalanine Enamide Derivatives UCB PHARMA, S.A. (BE) 2009-07-23 US disclosed
US-7557130-B2 Bicyclic heteroaromatic alanines UCB PHARMA, S.A. (BE) 2009-07-07 US disclosed
US-7531549-B2 Phenylalanine enamide derivatives UCB PHARMA, S.A. (BE) 2009-05-12 US disclosed
US-20090105291-A1 Phenylalanine Enamide Derivatives RIGEL PHARMACEUTICALS, INC. (US) 2009-04-23 US disclosed
US-20020169336-A1 Phenylalanine enamide derivatives UCB PHARMA S.A. (BE) 2002-11-14 US disclosed
WO-2002068393-A1 PHENYLALANINE ENAMIDE DERIVATIVES POSSESSING A CYCLOBUTENE GROUP, FOR USE AS INTEGRIN INHIBITORS CELLTECH R & D LIMITED (GB) 2002-09-06 WO disclosed
US-20020072607-A1 Inhibit binding of integrins to their ligands and are of use in prophylaxis and therapy of of immune or inflammatory disorders, or disorders including inappropriate growth or migration of cells CELLTECH R&D, LTD. (GB) 2002-06-13 US disclosed
US-20020037909-A1 Enamine derivatives UCB PHARMA S.A. (BE) 2002-03-28 US disclosed
WO-2002020522-A1 BICYCLIC ENAMIDE DERIVATIVES BEING INTEGRIN INHIBITORS CELLTECH R & D LIMITED (GB) 2002-03-14 WO disclosed
EP-1181266-A1 SQUARIC ACID DERIVATIVES AS CELL ADHESION MOLECULES Celltech R&D Limited (GB) 2002-02-27 EP disclosed
WO-2001079173-A2 ENAMINE DERIVATIVES AS CELL ADHESION MOLECULES CELLTECH R & D LIMITED (GB) 2001-10-25 WO disclosed
WO-2000073260-A1 SQUARIC ACID DERIVATIVES AS CELL ADHESION MOLECULES CELLTECH R&D LIMITED (GB) 2000-12-07 WO disclosed
US-4801590-A ANGINA, ANTICANCER, CARDIOVASCULAR DISORDERS, HEADACHES, PSORIASIS, ASTHMA, ANTICOAGULANTS BEIERSDORF AG (DE) 1989-01-31 US disclosed
EP-0253171-A1 Pyrido[1,8]naphthyridinones, process for their preparation and their use and compositions containing them Beiersdorf-Lilly GmbH (DE) 1988-01-20 EP 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 (5 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-20020037909-A1 Enamine derivatives CCR1, ITGB2, CCR10 HTT 3826/4885KMT2A 3381/4885MEN1 4755/4885
US-20020072607-A1 Inhibit binding of integrins to their ligands and are of use in prophylaxis and therapy of of immune or inflammatory disorders, or disorders including inappropriate growth or migration of cells ITGB2, VCAM1, ITGB1 HTT 4464/4885KMT2A 3406/4885MEN1 4146/4885
US-20090105291-A1 Phenylalanine Enamide Derivatives PAH, HRH3, PRLHR HTT 4303/4885KMT2A 2235/4885MEN1 4566/4885
US-20020169336-A1 Phenylalanine enamide derivatives CCR1, AHR, PAH HTT 3609/4885KMT2A 1917/4885MEN1 4823/4885
US-20090186914-A1 Phenylalanine Enamide Derivatives PAH, HRH3, PRLHR HTT 4303/4885KMT2A 2235/4885MEN1 4566/4885

“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.