SCHEMBL3157350

SCHEMBL3157350

Cc1c(C)n(Cc2ccccc2)c2ncnc(NN)c12

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 8/20 1.00
KMT2A Q03164 8/20 1.00
NPC1 O15118 4/20 1.00
RAB9A P51151 4/20 1.00
KDM4E B2RXH2 3/20 0.71
TSHR P16473 2/20 0.71
HTT P42858 2/20 0.71
MAPK1 P28482 1/20 0.71
HSD17B10 Q99714 1/20 0.71
NR2F2 P24468 2/20 0.69
POLB P06746 2/20 0.67
ATM Q13315 1/20 0.50
GAA P10253 2/20 0.47
KCNH2 Q12809 1/20 0.45
SCN5A Q14524 1/20 0.45
SCN9A Q15858 1/20 0.45
NPSR1 Q6W5P4 1/20 0.43
ALDH1A1 P00352 1/20 0.43
LMNA P02545 1/20 0.43
MAPT P10636 1/20 0.43

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
SCHEMBL4362841 0.83 KDM4E (1.00) MEN1KMT2ANPC1RAB9AKDM4E
SCHEMBL2464129 0.82 MEN1 (1.00) MEN1KMT2ANPC1RAB9AKDM4E
SCHEMBL8076506 0.81 MEN1 (0.72) MEN1KMT2ANPC1RAB9AKDM4E
SCHEMBL8084587 0.80 KMT2A (0.67) MEN1KMT2ANPC1RAB9AKDM4E
SCHEMBL17609437 0.80 POLB (0.68) MEN1KMT2ANPC1RAB9AKDM4E
SCHEMBL17620472 0.79 MEN1 (0.65) MEN1KMT2ANPC1RAB9AKDM4E
SCHEMBL3259092 0.78 KMT2A (0.64) MEN1KMT2ANPC1RAB9AKDM4E
SCHEMBL8076523 0.78 MEN1 (0.64) MEN1KMT2ANPC1RAB9AKDM4E
SCHEMBL17406893 0.78 KMT2A (0.65) MEN1KMT2ANPC1RAB9AKDM4E
SCHEMBL17609473 0.78 POLB (0.71) MEN1KMT2ANPC1RAB9AKDM4E

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
CN-1972946-A 7H-pyrrolo [2, 3-d ] pyrimidine derivatives and their therapeutically acceptable salts, pharmaceutical preparations containing them and process for preparing the active substances SZOLCSANYI JANOS (HU) 2007-05-30 CN disclosed
EP-1756110-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 (HU) 2007-02-28 EP disclosed
WO-2005105804-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 (HU) 2005-11-10 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 (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 MEN1 4329/4885KMT2A 4357/4885NPC1 2732/4885

“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.