SCHEMBL3764982

SCHEMBL3764982

COc1ccccc1Cc1nc2ccc(B3OC(C)(C)C(C)(C)O3)cc2[nH]1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.43
TP53 P04637 2/20 0.42
MAPT P10636 2/20 0.42
CYP3A4 P08684 2/20 0.42
CYP2C9 P11712 2/20 0.42
CYP2C19 P33261 2/20 0.42
MEN1 O00255 1/20 0.42
ALOX12 P18054 1/20 0.42
MAPK1 P28482 1/20 0.42
KMT2A Q03164 1/20 0.42
CYP2D6 P10635 1/20 0.42
TSHR P16473 1/20 0.42
GRIN1 Q05586 1/20 0.41
GRIN2B Q13224 1/20 0.41
CHEK2 O96017 1/20 0.41
SMN1; SMN2 Q16637 3/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
F10 P00742 1/20 0.40
EGFR P00533 4/20 0.40

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
SCHEMBL3766255 0.86 EGFR (0.49) POLBMAPTCYP3A4CYP2C9CYP2C19
SCHEMBL3762832 0.85 LMNA (0.44) MAPTTSHRSMN1; SMN2NPC1RAB9A
SCHEMBL3760873 0.83 PDE10A (0.37) MAPTKMT2ATSHRGRIN1GRIN2B
SCHEMBL3761817 0.82 GAA (0.55) POLBMAPTCYP3A4CYP2C9CYP2C19
SCHEMBL14327029 0.73 GAA (0.52) POLBMAPTKMT2ATSHRGRIN1
SCHEMBL12647775 0.71 KMT2A (0.40) POLBMAPTMEN1MAPK1KMT2A
SCHEMBL15574354 0.71 ALDH1A1 (0.49) POLBMAPTMEN1KMT2ASMN1; SMN2
SCHEMBL3765301 0.71 NPC1 (0.52) TP53MAPTCYP3A4CYP2C9CYP2C19
SCHEMBL3301830 0.70 LPL (0.38) SMN1; SMN2RAB9AEGFR
SCHEMBL15296449 0.70 EGFR (0.40) SMN1; SMN2EGFRALDH1A1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2435435-B1 PYRIMIDINE INHIBITORS OF KINASE ACTIVITY ABBVIE INC (US) 2014-01-29 EP disclosed
US-8536180-B2 Pyrimidine inhibitors of kinase activity ABBVIE INC. (US) 2013-09-17 US disclosed
US-20100305118-A1 PYRIMIDINE INHIBITORS OF KINASE ACTIVITY ABBOTT LABORATORIES (US) 2010-12-02 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 (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-20100305118-A1 PYRIMIDINE INHIBITORS OF KINASE ACTIVITY IGF1R, TK1, CDK2 POLB 277/4885TP53 400/4885MAPT 2822/4885

“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.