SCHEMBL3259352

SCHEMBL3259352

Cc1c(C#N)c(N)n(-c2cccc(Cl)c2)c1C

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.56
NPSR1 Q6W5P4 2/20 0.56
RXFP1 Q9HBX9 2/20 0.55
ALDH1A1 P00352 9/20 0.44
HPGD P15428 5/20 0.44
RXRA P19793 1/20 0.43
RXRB P28702 1/20 0.43
RXRG P48443 1/20 0.43
NOTUM Q6P988 1/20 0.43
ALOX15 P16050 1/20 0.41
MAPK1 P28482 1/20 0.41
HSD17B10 Q99714 1/20 0.41
TSHR P16473 1/20 0.41
ADORA2A P29274 1/20 0.40
ADORA2B P29275 1/20 0.40
ADORA1 P30542 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2C9 P11712 1/20 0.40
MAPT P10636 5/20 0.40
KMT2A Q03164 2/20 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
SCHEMBL11339280 0.82 KDM4E (0.54) KDM4ENPSR1RXFP1ALDH1A1HPGD
SCHEMBL11340384 0.82 ALDH1A1 (0.57) KDM4ENPSR1RXFP1ALDH1A1HPGD
SCHEMBL11335662 0.81 L3MBTL1 (0.44) KDM4ENPSR1RXFP1ALDH1A1HPGD
SCHEMBL4523252 0.79 HTT (0.52) KDM4ENPSR1RXFP1ALDH1A1HPGD
SCHEMBL11494325 0.78 HTT (0.38) KDM4ENPSR1RXFP1ALDH1A1HPGD
SCHEMBL4760669 0.76 HTT (0.44) KDM4ENPSR1RXFP1ALDH1A1HPGD
SCHEMBL11345308 0.75 ALDH1A1 (0.56) KDM4ENPSR1RXFP1ALDH1A1HPGD
SCHEMBL3162626 0.74 MEN1 (0.42) KDM4ENPSR1RXFP1ALDH1A1HPGD
SCHEMBL11340409 0.73 KDM4E (0.49) KDM4ENPSR1RXFP1ALDH1A1HPGD
SCHEMBL11347779 0.72 NOTUM (0.34) KDM4ENPSR1RXFP1ALDH1A1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1756110-B1 7H-PYRROLO[2,3-d]PYRIMIDINE DERIVATIVES, AS WELL AS THEIR THERAPEUTICALLY ACCEPTABLE SALTS, PHARMACEUTICAL PREPARATIONS CONTAINING THEM AND PROCESS FOR PRODUCTION THE ACTIVE AGENT SZOLCSANYI JANOS (HU) 2010-03-31 EP disclosed
US-20080214583-A1 7H-Pyrrolo[2,3-D]Pyrimidine Derivatives, As Well As Their Therapeutically Acceptable Salts, Pharmaceutical Preparations Containing Them And Process For Production The Active Agent SZOLCSANYI JANOS 2008-09-04 US disclosed
EP-0005205-B1 SUBSTITUTED 5.6-DIMETHYLPYRROLO(2,3-D)PYRIMIDINES, METHODS FOR THEIR PREPARATION AND MEDICINES CONTAINING THEM Troponwerke GmbH & Co. KG (DE) 1981-09-09 EP disclosed
US-4229453-A ANTIINFLAMMATORY AGENTS, SEDATIVES, ANTICONVULSANTS BAYER AKTIENGESELLSCHAFT (DE) 1980-10-21 US disclosed
EP-0005205-A1 Substituted 5.6-dimethylpyrrolo(2,3-d)pyrimidines, methods for their preparation and medicines containing them Troponwerke GmbH & Co. KG (DE) 1979-11-14 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 (1 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-20080214583-A1 7H-Pyrrolo[2,3-D]Pyrimidine Derivatives, As Well As Their Therapeutically Acceptable Salts, Pharmaceutical Preparations Containing Them And Process For Production The Active Agent TYMS, DPYD, P2RX7 KDM4E 2960/4885NPSR1 252/4885RXFP1 3790/4885

“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.