SCHEMBL4130422

SCHEMBL4130422

CC(=O)c1c(C)nn(-c2ccccc2)c1C

nearest known ligand 0.66

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 6/20 0.66
MAPT P10636 3/20 0.66
NPSR1 Q6W5P4 1/20 0.66
PDE4D Q08499 1/20 0.66
NPC1 O15118 5/20 0.63
KMT2A Q03164 3/20 0.58
MEN1 O00255 2/20 0.58
CYP1A2 P05177 1/20 0.58
CYP2C9 P11712 1/20 0.58
CYP2C19 P33261 1/20 0.58
POLB P06746 3/20 0.57
HPGD P15428 1/20 0.57
KDM4E B2RXH2 1/20 0.57
APEX1 P27695 1/20 0.57
TDP1 Q9NUW8 1/20 0.57
WNT3A P56704 1/20 0.56
SMN1; SMN2 Q16637 1/20 0.54

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
SCHEMBL2938583 0.88 MEN1 (0.69) RAB9AMAPTNPSR1PDE4DNPC1
SCHEMBL15153224 0.85 RAB9A (0.74) RAB9AMAPTNPSR1PDE4DNPC1
SCHEMBL9779069 0.85 CYP1A2 (0.56) RAB9AMAPTNPSR1PDE4DNPC1
SCHEMBL28524227 0.85 RAB9A (0.64) RAB9AMAPTNPSR1PDE4DNPC1
SCHEMBL2937866 0.85 RAB9A (0.64) RAB9AMAPTNPSR1PDE4DNPC1
SCHEMBL11110984 0.83 CYP1A2 (0.55) RAB9AMAPTNPSR1PDE4DNPC1
SCHEMBL8031114 0.82 RAB9A (0.61) RAB9AMAPTNPSR1PDE4DNPC1
SCHEMBL6392543 0.81 MEN1 (0.52) RAB9AMAPTNPSR1PDE4DNPC1
SCHEMBL2559503 0.81 PDE4D (0.56) RAB9AMAPTNPSR1PDE4DNPC1
SCHEMBL5904628 0.80 ATM (0.51) RAB9AMAPTNPSR1PDE4DNPC1

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 15 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9926282-B2 Phthalazinones and isoquinolinones as rock inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2018-03-27 US disclosed
US-20150353505-A1 PHTHALAZINONES AND ISOQUINOLINONES AS ROCK INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2015-12-10 US disclosed
US-8962551-B2 Quinoxalinyl derivatives ENANTA PHARMACEUTICALS, INC. (US) 2015-02-24 US disclosed
US-8962551-B2 Quinoxalinyl derivatives ENANTA PHARMACEUTICALS, INC. (US) 2015-02-24 US disclosed
US-20090180981-A1 QUINOXALINYL DERIVATIVES ENANTA PHARMACEUTICALS, INC. 2009-07-16 US disclosed
US-20090180981-A1 QUINOXALINYL DERIVATIVES ENANTA PHARMACEUTICALS, INC. 2009-07-16 US disclosed
WO-2009073719-A1 QUINOXALINYL DERIVATIVES ENANTA PHARMACEUTICALS, INC. (US) 2009-06-11 WO disclosed
US-7511145-B2 Bicyclic heteroaryl derivatives GENELABS TECHNOLOGIES, INC. (US) 2009-03-31 US disclosed
US-20090081165-A1 BICYCLIC HETEROARYL DERIVATIVES GENELABS TECHNOLOGIES, INC. 2009-03-26 US disclosed
EP-1651631-A1 BICYCLIC IMIDAZOL DERIVATIVES AGAINST FLAVIVIRIDAE GENELABS TECHNOLOGIES, INC. (US) 2006-05-03 EP disclosed
US-20050187390-A1 Bicyclic heteroaryl derivatives GENELABS TECHNOLOGIES, INC. 2005-08-25 US disclosed
WO-2005012288-A1 BICYCLIC IMIDAZOL DERIVATIVES AGAINST FLAVIVIRIDAE GENELABS TECHNOLOGIES, INC (US) 2005-02-10 WO disclosed
US-4325962-A ANTIINFLAMMATORY AGENTS, ANALGESICS, ANTIDYRETICS BYK-GULDEN LOMBERG CHEMISCHE FABRIK GMBH (DE) 1982-04-20 US disclosed
US-4316815-A OPTICAL BRIGHTENERS FOR POLYAMIDES, CELLULOSICS SANDOZ LTD. (CH) 1982-02-23 US disclosed
US-4146721-A ANALGESICS, ANTIINFLAMMATORY AGENTS AND ANTIPYRETICS BYK GULDEN LOMBERG CHEMISCHE FABRIK GMBH (DE) 1979-03-27 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-20090180981-A1 QUINOXALINYL DERIVATIVES SQOR, ATG4A, NQO1 RAB9A 2188/4885MAPT 4629/4885NPSR1 2470/4885
US-20090081165-A1 BICYCLIC HETEROARYL DERIVATIVES HAVCR2, MAVS, ZC3HAV1 RAB9A 893/4885MAPT 2748/4885NPSR1 4443/4885
US-20150353505-A1 PHTHALAZINONES AND ISOQUINOLINONES AS ROCK INHIBITORS MYLK, MYLK2, ROCK1 RAB9A 1244/4885MAPT 138/4885NPSR1 4084/4885
US-20050187390-A1 Bicyclic heteroaryl derivatives HAVCR2, MAVS, ZC3HAV1 RAB9A 893/4885MAPT 2748/4885NPSR1 4443/4885

“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.