SCHEMBL2014633

SCHEMBL2014633

CC(Nc1ncnc2[nH]cnc12)c1cc(Cl)c2cccnc2c1N1CCN(C(=O)c2ccc(F)cc2)CC1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 2/20 0.46
L3MBTL1 Q9Y468 2/20 0.40
SLC6A7 Q99884 1/20 0.39
PAK1 Q13153 1/20 0.39
MTOR P42345 1/20 0.38
RAB9A P51151 1/20 0.38
SIRT2 Q8IXJ6 1/20 0.38
SLC40A1 Q9NP59 2/20 0.37
KIT P10721 2/20 0.37
KDM4E B2RXH2 1/20 0.37
ALOX12 P18054 1/20 0.37
KAT2B Q92831 1/20 0.37
ALDH1A1 P00352 1/20 0.37
MAPT P10636 1/20 0.36
MAPK8 P45983 2/20 0.36
MAPK10 P53779 2/20 0.36

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 SCHEMBL2163822 0.96 PIK3CD (0.43) PIK3CDL3MBTL1SLC6A7PAK1MTOR
SCHEMBL2017432 0.93 PIK3CD (0.42) PIK3CDL3MBTL1SLC6A7MTORRAB9A
SCHEMBL2017857 0.93 PIK3CD (0.42) PIK3CDL3MBTL1MTORRAB9ASIRT2
SCHEMBL2017420 0.93 PIK3CD (0.50) PIK3CDL3MBTL1SLC40A1ALDH1A1MAPT
Trifluoroacetic Acid SCHEMBL2054376 0.91 PIK3CD (0.41) PIK3CDL3MBTL1MTORRAB9ASIRT2
Trifluoroacetic Acid SCHEMBL2053153 0.90 PIK3CD (0.41) PIK3CDL3MBTL1MTORRAB9ASIRT2
SCHEMBL2015060 0.90 MEN1 (0.42) PIK3CDL3MBTL1SLC40A1KITKDM4E
SCHEMBL2017026 0.89 PIK3CD (0.44) PIK3CDL3MBTL1PAK1RAB9AKDM4E
Trifluoroacetic Acid SCHEMBL2054020 0.89 PIK3CD (0.47) PIK3CDL3MBTL1SLC40A1ALDH1A1MAPT
SCHEMBL2164038 0.88 PIK3CD (0.42) PIK3CDL3MBTL1RAB9ASLC40A1KDM4E

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 9 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
WO-2011075630-A1 SUBSTITUTED FUSED ARYL AND HETEROARYL DERIVATIVES AS PI3K INHIBITORS INCYTE CORPORATION (US) 2011-06-23 WO 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
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 13/4885L3MBTL1 2960/4885SLC6A7 4408/4885

“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.