SCHEMBL2163159

SCHEMBL2163159

CC(Nc1ncnc2[nH]cnc12)c1cc(Cl)c2cccnc2c1N1CCN(Cc2ccncc2)CC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 4/20 0.43
EGFR P00533 2/20 0.38
KDR P35968 2/20 0.38
STK10 O94804 1/20 0.38
MAP4K4 O95819 1/20 0.38
ABL1 P00519 1/20 0.38
ERBB2 P04626 1/20 0.38
YES1 P07947 1/20 0.38
RET P07949 1/20 0.38
PDGFRB P09619 1/20 0.38
BCR P11274 1/20 0.38
FLT1 P17948 1/20 0.38
ERBB3 P21860 1/20 0.38
WEE1 P30291 1/20 0.38
ABL2 P42684 1/20 0.38
NEK3 P51956 1/20 0.38
LIMK1 P53667 1/20 0.38
LIMK2 P53671 1/20 0.38
EPHB4 P54760 1/20 0.38
ACVR1 Q04771 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
Trifluoroacetic Acid SCHEMBL2054299 0.93 PIK3CD (0.40) PIK3CDEGFRKDRSTK10MAP4K4
SCHEMBL2016663 0.88 KDM4E (0.44) PIK3CDKDM4EMAPTL3MBTL1HTT
SCHEMBL12631373 0.87 PIK3CD (0.49) PIK3CDKDM4EMAPTL3MBTL1HTT
SCHEMBL2017829 0.87 PIK3CD (0.43) PIK3CDMAP4K4KDM4EMAPTL3MBTL1
SCHEMBL2017857 0.86 PIK3CD (0.42) PIK3CDKDM4EMAPTL3MBTL1HTT
SCHEMBL2164764 0.85 PIK3CD (0.42) PIK3CDERBB2KDM4EMAPTL3MBTL1
SCHEMBL2013639 0.85 PIK3CD (0.45) PIK3CDKDM4EMAPTL3MBTL1HTT
SCHEMBL2017133 0.84 PIK3CD (0.48) PIK3CDKDM4EMAPTL3MBTL1HTT
SCHEMBL2012801 0.84 PIK3CD (0.48) PIK3CDKDM4EMAPTL3MBTL1HTT
SCHEMBL2017049 0.84 PIK3CD (0.46) PIK3CDKDM4EMAPTL3MBTL1HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8680108-B2 Substituted fused aryl and heteroaryl derivatives as PI3K inhibitors INCYTE CORPORATION (US) 2014-03-25 US claimed
US-20110183985-A1 SUBSTITUTED FUSED ARYL AND HETEROARYL DERIVATIVES AS PI3K INHIBITORS INCYTE CORPORATION 2011-07-28 US claimed
US-8680108-B2 Substituted fused aryl and heteroaryl derivatives as PI3K inhibitors INCYTE CORPORATION (US) 2014-03-25 US disclosed
US-8680108-B2 Substituted fused aryl and heteroaryl derivatives as PI3K inhibitors INCYTE CORPORATION (US) 2014-03-25 US disclosed
US-20110183985-A1 SUBSTITUTED FUSED ARYL AND HETEROARYL DERIVATIVES AS PI3K INHIBITORS INCYTE CORPORATION 2011-07-28 US disclosed
US-20110183985-A1 SUBSTITUTED FUSED ARYL AND HETEROARYL DERIVATIVES AS PI3K INHIBITORS INCYTE CORPORATION 2011-07-28 US disclosed
WO-2011075630-A1 SUBSTITUTED FUSED ARYL AND HETEROARYL DERIVATIVES AS PI3K INHIBITORS INCYTE CORPORATION (US) 2011-06-23 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-20110183985-A1 SUBSTITUTED FUSED ARYL AND HETEROARYL DERIVATIVES AS PI3K INHIBITORS PIK3R1, PIK3R3, PIK3R2 PIK3CD 13/4885EGFR 236/4885KDR 613/4885

“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.