SCHEMBL3526207

SCHEMBL3526207

O=c1[nH]cnc(OCc2ccccc2)c1Br

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IP6K1 Q92551 2/20 0.52
CDC7 O00311 2/20 0.50
DBF4 Q9UBU7 2/20 0.50
LMNA P02545 2/20 0.47
CYP1A2 P05177 1/20 0.47
CDK1 P06493 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2D6 P10635 1/20 0.47
CYP2C9 P11712 1/20 0.47
CCNB1 P14635 1/20 0.47
MGMT P16455 1/20 0.47
TSHR P16473 1/20 0.47
NFKB1 P19838 1/20 0.47
CCNA2 P20248 1/20 0.47
CDK2 P24941 1/20 0.47
CYP2C19 P33261 1/20 0.47
BLM P54132 1/20 0.47
CCNA1 P78396 1/20 0.47
PMP22 Q01453 1/20 0.47
PIN1 Q13526 1/20 0.47

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
SCHEMBL3521901 0.81 IP6K1 (0.52) IP6K1CDC7DBF4LMNACYP1A2
SCHEMBL31728550 0.76 IP6K1 (0.51) IP6K1LMNAL3MBTL1ABL1MAPK14
SCHEMBL4380048 0.74 MAPK14 (0.51) IP6K1LMNACDK1CCNB1L3MBTL1
SCHEMBL31352813 0.72 IP6K1 (0.63) IP6K1L3MBTL1NSD2ABL1PPARG
SCHEMBL26109341 0.72 IP6K1 (0.63) IP6K1L3MBTL1NSD2ABL1PPARG
SCHEMBL31729197 0.71 IP6K1 (0.44) IP6K1LMNAMAPK14HPGDELANE
SCHEMBL3525090 0.71 FFAR2 (0.46) LMNACDK1CCNB1MGMTCCNA2
SCHEMBL6641884 0.71 IDO1 (0.60) IP6K1LMNAL3MBTL1NSD2ABL1
SCHEMBL3523144 0.71 MAPK14 (0.46) IP6K1LMNACYP1A2CYP3A4CYP2C9
SCHEMBL2563642 0.71 IP6K1 (0.49) IP6K1CDC7DBF4LMNATSHR

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-7795271-B2 Substituted pyrimidinones PHARMACIA CORPORATION (US) 2010-09-14 US disclosed
US-20090306108-A1 SUBSTITUTED PYRIMIDINONES PFIZER INC 2009-12-10 US disclosed
US-20070167621-A1 SUBSTITUTED PYRIMIDINONES PHARMACIA CORPORATION (US) 2007-07-19 US disclosed
US-7183287-B2 Substituted pyrimidinones PHARMACIA CORPORATION (US) 2007-02-27 US disclosed
US-20040242608-A1 Substituted pyrimidinones PHARMACIA LLC 2004-12-02 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 (3 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-20090306108-A1 SUBSTITUTED PYRIMIDINONES MAPK1, MAP3K8, MAP3K7 IP6K1 837/4885CDC7 380/4885DBF4 4308/4885
US-20040242608-A1 Substituted pyrimidinones MAPK1, MAPK7, MAP3K8 IP6K1 651/4885CDC7 625/4885DBF4 4523/4885
US-20070167621-A1 SUBSTITUTED PYRIMIDINONES MAPK1, MAP3K8, MAP3K7 IP6K1 837/4885CDC7 380/4885DBF4 4308/4885

“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.