SCHEMBL3761817

SCHEMBL3761817

CC1(C)OB(c2ccc3nc(Cc4ccccc4)[nH]c3c2)OC1(C)C

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.55
PKM P14618 2/20 0.55
TSHR P16473 1/20 0.55
MAPT P10636 3/20 0.54
KDM4E B2RXH2 1/20 0.54
TDP1 Q9NUW8 1/20 0.54
RIPK1 Q13546 1/20 0.53
GRIN1 Q05586 6/20 0.48
GRIN2B Q13224 6/20 0.48
EGFR P00533 2/20 0.47
ERBB2 P04626 2/20 0.44
CYP1A2 P05177 1/20 0.44
POLB P06746 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
RAB9A P51151 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
NPC1 O15118 1/20 0.42

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
SCHEMBL14327029 0.90 GAA (0.52) GAAPKMTSHRMAPTKDM4E
SCHEMBL3766255 0.87 EGFR (0.49) GAAPKMTSHRMAPTKDM4E
SCHEMBL3762832 0.84 LMNA (0.44) GAAPKMTSHRMAPTKDM4E
SCHEMBL3760873 0.82 PDE10A (0.37) GAAPKMTSHRMAPTKDM4E
SCHEMBL3764982 0.82 POLB (0.43) TSHRMAPTKDM4EGRIN1GRIN2B
SCHEMBL15574354 0.79 ALDH1A1 (0.49) GAAPKMMAPTKDM4ETDP1
SCHEMBL3765301 0.79 NPC1 (0.52) GAATSHRMAPTKDM4ECYP1A2
SCHEMBL12647775 0.76 KMT2A (0.40) PKMMAPTKDM4ETDP1POLB
SCHEMBL8973998 0.76 POLB (0.71) GAAPKMTSHRMAPTKDM4E
SCHEMBL3759602 0.76 RIPK1 (0.53) MAPTRIPK1EGFRPOLBRAB9A

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
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
WO-2010138575-A1 PYRIMIDINE INHIBITORS OF KINASE ACTIVITY ABBOTT LABORATORIES (US) 2010-12-02 WO 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 GAA 2232/4885PKM 906/4885TSHR 625/4885

“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.