SCHEMBL2017026

SCHEMBL2017026

CC(Nc1ncnc2[nH]cnc12)c1cc(Cl)c2cccnc2c1N1CCN(C(=O)c2ccccc2F)CC1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 2/20 0.44
LMNA P02545 4/20 0.43
MAPT P10636 3/20 0.43
ALDH1A1 P00352 3/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
L3MBTL1 Q9Y468 3/20 0.42
KDM4E B2RXH2 3/20 0.42
NPY2R P49146 1/20 0.38
SOS1 Q07889 3/20 0.37
PAK1 Q13153 1/20 0.37
NPC1 O15118 1/20 0.36
HTT P42858 1/20 0.36
RAB9A P51151 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
GBA1 P04062 1/20 0.36
DYRK1A Q13627 1/20 0.36
MAPK10 P53779 1/20 0.35

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 SCHEMBL2053392 0.96 PIK3CD (0.41) PIK3CDLMNAMAPTALDH1A1SMN1; SMN2
SCHEMBL2017432 0.90 PIK3CD (0.42) PIK3CDLMNAMAPTL3MBTL1NPY2R
SCHEMBL2014633 0.89 PIK3CD (0.46) PIK3CDMAPTALDH1A1L3MBTL1KDM4E
SCHEMBL2164038 0.89 PIK3CD (0.42) PIK3CDLMNAMAPTALDH1A1L3MBTL1
SCHEMBL2017857 0.88 PIK3CD (0.42) PIK3CDLMNAMAPTALDH1A1SMN1; SMN2
SCHEMBL2017420 0.88 PIK3CD (0.50) PIK3CDMAPTALDH1A1SMN1; SMN2L3MBTL1
Trifluoroacetic Acid SCHEMBL2054376 0.87 PIK3CD (0.41) PIK3CDMAPTL3MBTL1NPY2RNPC1
SCHEMBL12471366 0.86 PIK3CD (0.39) PIK3CDLMNAMAPTALDH1A1SMN1; SMN2
SCHEMBL2163344 0.86 PIK3CD (0.43) PIK3CDLMNAMAPTALDH1A1L3MBTL1
SCHEMBL2163953 0.86 PIK3CD (0.43) PIK3CDMAPTALDH1A1SMN1; SMN2L3MBTL1

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 8 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

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 13/4885LMNA 4440/4885MAPT 4496/4885

“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.