SCHEMBL4200756

SCHEMBL4200756

CCC(CC)n1c(C(=O)OC)cc2cnc(Cl)nc21

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.38
MAPT P10636 1/20 0.36
TSHR P16473 1/20 0.36
STAT3 P40763 1/20 0.36
RECQL P46063 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
TP53 P04637 2/20 0.36
THRB P10828 1/20 0.36
MEN1 O00255 1/20 0.34
RAB9A P51151 1/20 0.34
YTHDC1 Q96MU7 3/20 0.33
MRGPRX4 Q96LA9 1/20 0.33
CYP1A2 P05177 2/20 0.33
CDK4 P11802 1/20 0.33
CCND1 P24385 1/20 0.33
BACE1 P56817 1/20 0.33
CYP2C19 P33261 1/20 0.33
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
SMN1; SMN2 Q16637 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
SCHEMBL4201277 0.85 CCR9 (0.36) KMT2AMEN1CYP1A2CDK4CCND1
SCHEMBL4194379 0.85 CDK4 (0.36) CYP1A2CDK4CCND1BACE1
SCHEMBL4186998 0.82 CDK4 (0.43) CDK4CCND1ALDH1A1
SCHEMBL4200763 0.77 GRK6 (0.42) KMT2ANPSR1MEN1RAB9ACYP1A2
SCHEMBL4196172 0.76 DHFR (0.34) CYP1A2KDM4EALDH1A1SMN1; SMN2
SCHEMBL4549829 0.76 KMT2A (0.42) KMT2AMAPTNPSR1TP53MEN1
SCHEMBL21388311 0.75 CDK4 (0.36) KMT2AMAPTMEN1CYP1A2CDK4
SCHEMBL28733993 0.75 STK17B (0.42) KDM4E
SCHEMBL4195717 0.75 BACE1 (0.30) CDK4CCND1BACE1
SCHEMBL4189798 0.75 CYP1A2 (0.32) CYP1A2

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
US-8324225-B2 Pyrrolopyrimidine compounds and their uses NOVARTIS AG (CH) 2012-12-04 US disclosed
US-20120207763-A1 PYRROLOPYRIMIDINE COMPOUNDS AND THEIR USES ASTEX THERAPEUTICS LIMITED (GB) 2012-08-16 US disclosed
US-20090318441-A1 Pyrrolopyrimidine Compounds and Their Uses ASTEX THERAPEUTICS LTD. 2009-12-24 US disclosed
EP-2029145-A2 PYRROLOPYRIMIDINE COMPOUNDS AND THEIR USES Novartis Ag (CH) 2009-03-04 EP disclosed
WO-2007140222-A2 PYRROLOPYRIMIDINE COMPOUNDS AND THEIR USES NOVARTIS AG (CH) 2007-12-06 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 (2 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-20090318441-A1 Pyrrolopyrimidine Compounds and Their Uses PRKDC, TK2, PNKP KMT2A 2222/4885MAPT 2154/4885TSHR 4367/4885
US-20120207763-A1 PYRROLOPYRIMIDINE COMPOUNDS AND THEIR USES PRKDC, TK2, PNKP KMT2A 2222/4885MAPT 2154/4885TSHR 4367/4885

“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.