SCHEMBL1774048

SCHEMBL1774048

CC(C)(C)c1c(N)nc(N)nc1Cl

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.36
ADORA2A P29274 2/20 0.34
ADORA1 P30542 2/20 0.34
KDM4E B2RXH2 2/20 0.34
LMNA P02545 1/20 0.34
MAPK1 P28482 1/20 0.34
HTT P42858 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
KCNH2 Q12809 1/20 0.33
GAA P10253 1/20 0.31
MAPT P10636 1/20 0.31
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31
CCNA2 P20248 1/20 0.31
CDK2 P24941 1/20 0.31
CCNA1 P78396 1/20 0.31

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
SCHEMBL16229312 0.88 L3MBTL1 (0.40) L3MBTL1ADORA2AADORA1KDM4ESMN1; SMN2
SCHEMBL6013386 0.83 L3MBTL1 (0.38) L3MBTL1KDM4EKCNH2GAAMAPT
SCHEMBL15816170 0.77 KDM4E (0.33) KDM4E
SCHEMBL24310127 0.74 ADORA2A (0.35) L3MBTL1ADORA2AADORA1KDM4E
SCHEMBL31436642 0.74
SCHEMBL21585430 0.73 L3MBTL1 (0.32) L3MBTL1KDM4EGAAMAPTNPC1
SCHEMBL15504760 0.70 KDM4E (0.42) L3MBTL1KDM4ELMNAGAAMAPT
SCHEMBL28265800 0.70 SMN1; SMN2 (0.46) ADORA2AADORA1KDM4ELMNAMAPK1
SCHEMBL29308077 0.69 PDE10A (0.52) ADORA2AADORA1LMNASMN1; SMN2KCNH2
SCHEMBL23851630 0.69 KDM4E (0.36) ADORA2AADORA1KDM4ESMN1; SMN2NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105143206-B Pyrimidine -2,4- diamine derivative for treating cancer 托马斯·黑勒戴药物研究基金会 2019-01-15 CN disclosed
EP-1966162-B1 PYRIMIDINE DERIVATIVES ZIARCO PHARMA LTD (GB) 2017-03-15 EP disclosed
US-7943628-B2 Pyrimidine derivatives PFIZER LIMITED (GB) 2011-05-17 US disclosed
US-20070185075-A1 Pyrimidine derivatives PFIZER LIMITED 2007-08-09 US 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-20070185075-A1 Pyrimidine derivatives TYMS, DPYD, TYMP L3MBTL1 1070/4885ADORA2A 70/4885ADORA1 40/4885

“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.