SCHEMBL2163199

SCHEMBL2163199

CC(=O)c1cc(Cl)c2cccnc2c1N1CCN(C(=O)c2c(C)noc2C)CC1

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.56
POLB P06746 1/20 0.49
SMN1; SMN2 Q16637 6/20 0.48
TSHR P16473 4/20 0.48
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
ALDH1A1 P00352 8/20 0.47
HSD17B10 Q99714 6/20 0.46
HPGD P15428 4/20 0.46
CYP2C19 P33261 2/20 0.46
MAPK1 P28482 1/20 0.46
CYP3A4 P08684 3/20 0.45
MAPT P10636 1/20 0.44
HIF1A Q16665 1/20 0.44
LMNA P02545 2/20 0.43
HTT P42858 2/20 0.43
CYP2D6 P10635 2/20 0.43
CYP2C9 P11712 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
SCHEMBL2163140 0.85 ALDH1A1 (0.55) KDM4EPOLBTSHRMEN1KMT2A
SCHEMBL2163603 0.85 KDM4E (0.53) KDM4EPOLBSMN1; SMN2TSHRMEN1
SCHEMBL2014858 0.84 KDM4E (0.55) KDM4EPOLBSMN1; SMN2TSHRMEN1
SCHEMBL2013342 0.84 KDM4E (0.52) KDM4EPOLBSMN1; SMN2TSHRMEN1
SCHEMBL2164817 0.82 KMT2A (0.49) KDM4ETSHRMEN1KMT2AALDH1A1
SCHEMBL2163277 0.82 AKR1C3 (0.46) KDM4ESMN1; SMN2TSHRMEN1KMT2A
SCHEMBL2053755 0.81 L3MBTL1 (0.51) KDM4ESMN1; SMN2TSHRMEN1KMT2A
SCHEMBL2164023 0.79 L3MBTL1 (0.53) KDM4ESMN1; SMN2TSHRMEN1KMT2A
SCHEMBL2163899 0.79 MEN1 (0.54) KDM4EPOLBSMN1; SMN2MEN1KMT2A
SCHEMBL2163143 0.79 ALDH1A1 (0.56) KDM4EPOLBSMN1; SMN2TSHRALDH1A1

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 disclosed
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
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 KDM4E 1058/4885POLB 2255/4885SMN1; SMN2 4640/4885

“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.