SCHEMBL5402771

SCHEMBL5402771

Cc1ccc(Nc2ccnc(Cl)n2)c(Br)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.44
NPC1 O15118 4/20 0.44
MAPT P10636 3/20 0.44
NFKB1 P19838 2/20 0.44
NFKB2 Q00653 2/20 0.44
RELA Q04206 2/20 0.44
GAA P10253 1/20 0.44
TOP2A P11388 1/20 0.43
TOP2B Q02880 1/20 0.43
ATM Q13315 1/20 0.43
KMT2A Q03164 3/20 0.39
MEN1 O00255 2/20 0.39
SMN1; SMN2 Q16637 4/20 0.39
ALDH1A1 P00352 1/20 0.39
HDAC3 O15379 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
KDM4E B2RXH2 1/20 0.38
CDK4 P11802 1/20 0.38
CCNE1 P24864 1/20 0.38

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
SCHEMBL18386919 0.82 APP (0.40) KMT2AMEN1SMN1; SMN2HDAC3HDAC1
SCHEMBL658219 0.82 CDK4 (0.47) CDK4CCNE1CDK2SYKPIK3CG
SCHEMBL5388892 0.82 MAPK14 (0.46) RAB9ANPC1GAAKMT2AMEN1
SCHEMBL7767558 0.82 CDK4 (0.42) RAB9ANPC1MAPTNFKB1NFKB2
SCHEMBL5261001 0.79 CDK4 (0.54) CDK4CCNE1CDK2SYKPOLB
SCHEMBL15489547 0.78 AURKA (0.51) MAPTKMT2AMEN1ALDH1A1CDK4
SCHEMBL16129203 0.76 CDK4 (0.34) RAB9ANPC1SMN1; SMN2ALDH1A1KDM4E
SCHEMBL14940507 0.75 NFKB1 (0.53) RAB9ANPC1MAPTNFKB1NFKB2
SCHEMBL7767535 0.75 CDK2 (0.50) CDK4CCNE1CDK2SYKPIK3CG
SCHEMBL5394104 0.74 EPHB4 (0.45) RAB9ANPC1MAPTATMKMT2A

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-7176212-B2 2,4-diamino pyrimidine compounds having anti-cell proliferative activity ASTRAZENECA AB (SE) 2007-02-13 US disclosed
EP-1107957-B1 PYRIMIDINE COMPOUNDS ASTRAZENECA AB (SE) 2006-10-18 EP disclosed
US-20050090493-A1 2,4-Diamino pyrimidine compounds having anti-cell proliferative activity ASTRAZENECA AB 2005-04-28 US disclosed
EP-1107957-A1 PYRIMIDINE COMPOUNDS AstraZeneca AB (SE) 2001-06-20 EP disclosed
WO-2000012485-A1 PYRIMIDINE COMPOUNDS ASTRAZENECA AB (SE) 2000-03-09 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-20050090493-A1 2,4-Diamino pyrimidine compounds having anti-cell proliferative activity H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, H1-3, H1-0 RAB9A 2735/4885NPC1 2728/4885MAPT 4681/4885

“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.