SCHEMBL4201277

SCHEMBL4201277

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

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CCR9 P51686 5/20 0.36
GPR35 Q9HC97 1/20 0.33
BACE1 P56817 2/20 0.32
CDK4 P11802 2/20 0.32
CCND1 P24385 2/20 0.32
CYP1A2 P05177 1/20 0.32
HCAR3 P49019 1/20 0.32
TDP1 Q9NUW8 1/20 0.31
SLC6A4 P31645 1/20 0.30
SLC6A3 Q01959 1/20 0.30
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30
CCND2 P30279 1/20 0.30
CCND3 P30281 1/20 0.30
JUN P05412 1/20 0.30
NFKB1 P19838 1/20 0.30
NFKB2 Q00653 1/20 0.30
RELA Q04206 1/20 0.30

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
SCHEMBL4194379 0.89 CDK4 (0.36) BACE1CDK4CCND1CYP1A2JUN
SCHEMBL4186998 0.85 CDK4 (0.43) CDK4CCND1CCND3NFKB1
SCHEMBL4200756 0.85 KMT2A (0.38) BACE1CDK4CCND1CYP1A2MEN1
SCHEMBL28733993 0.82 STK17B (0.42) CCR9
SCHEMBL25335689 0.81 STK17B (0.45) CCR9TDP1MEN1KMT2A
SCHEMBL4195717 0.81 BACE1 (0.30) BACE1CDK4CCND1CCND2CCND3
SCHEMBL4196172 0.80 DHFR (0.34) CYP1A2
SCHEMBL2723630 0.78 CCR9 (0.41) CCR9GPR35CDK4CCND1CYP1A2
SCHEMBL4189798 0.78 CYP1A2 (0.32) CYP1A2
SCHEMBL4195718 0.77

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2029145-B1 PYRROLOPYRIMIDINE COMPOUNDS AND THEIR USES NOVARTIS AG (CH) 2017-01-25 EP disclosed
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 CCR9 4497/4885GPR35 4229/4885BACE1 4540/4885
US-20120207763-A1 PYRROLOPYRIMIDINE COMPOUNDS AND THEIR USES PRKDC, TK2, PNKP CCR9 4497/4885GPR35 4229/4885BACE1 4540/4885

“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.