SCHEMBL2017233

SCHEMBL2017233

CC(N)c1cc(Cl)c2ccnnc2c1-c1cccc(F)c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCL2 P10415 1/20 0.60
PIK3CD O00329 5/20 0.58
NT5E P21589 1/20 0.34
AXL P30530 1/20 0.34
MERTK Q12866 1/20 0.34
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
NFKB1 P19838 1/20 0.33
PNMT P11086 1/20 0.33
GCGR P47871 1/20 0.32
NOTUM Q6P988 1/20 0.32
ALDH1A1 P00352 1/20 0.32
LMNA P02545 1/20 0.32
GLA P06280 1/20 0.32
HSD11B1 P28845 1/20 0.32
ADORA2A P29274 1/20 0.32
ADORA1 P30542 1/20 0.32
KDM4E B2RXH2 1/20 0.32
TP53 P04637 1/20 0.31

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
SCHEMBL2163803 1.00 BCL2 (0.60) BCL2PIK3CDNT5EAXLMERTK
Cadaverine Tartrate SCHEMBL2163375 0.91 BCL2 (0.53) BCL2PIK3CDNT5EAXLMERTK
Trifluoroacetic Acid SCHEMBL2012076 0.91 BCL2 (0.53) BCL2PIK3CDNT5E
SCHEMBL12632222 0.91 PIK3CD (0.59) BCL2PIK3CDNT5EAXLMERTK
SCHEMBL2015596 0.89 BCL2 (0.48) BCL2PIK3CDLMNATP53
SCHEMBL2163762 0.88 PIK3CD (0.58) BCL2PIK3CDNT5EAXLMERTK
SCHEMBL2019258 0.88 PIK3CD (0.58) BCL2PIK3CDNT5EAXLMERTK
SCHEMBL2016428 0.88 BCL2 (0.48) BCL2PIK3CDGCGRNOTUMADORA2A
SCHEMBL2017230 0.85 PIK3CD (0.58) BCL2PIK3CDKDM4E
SCHEMBL15496118 0.83 BCL2 (0.55) BCL2PIK3CDNT5EGCGR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9108984-B2 Substituted diamino-pyrimidine and diamino-pyridine derivatives as PI3K inhibitors INCYTE CORPORATION (US) 2015-08-18 US disclosed
US-9108984-B2 Substituted diamino-pyrimidine and diamino-pyridine derivatives as PI3K inhibitors INCYTE CORPORATION (US) 2015-08-18 US disclosed
US-9108984-B2 Substituted diamino-pyrimidine and diamino-pyridine derivatives as PI3K inhibitors INCYTE CORPORATION (US) 2015-08-18 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-8680108-B2 Substituted fused aryl and heteroaryl derivatives as PI3K inhibitors INCYTE CORPORATION (US) 2014-03-25 US disclosed
US-20140066448-A1 SUBSTITUTED DIAMINO-PYRIMIDINE AND DIAMINO-PYRIDINE DERIVATIVES AS PI3K INHIBITORS INCYTE CORPORATION (US) 2014-03-06 US disclosed
US-20140066448-A1 SUBSTITUTED DIAMINO-PYRIMIDINE AND DIAMINO-PYRIDINE DERIVATIVES AS PI3K INHIBITORS INCYTE CORPORATION (US) 2014-03-06 US disclosed
US-20140066448-A1 SUBSTITUTED DIAMINO-PYRIMIDINE AND DIAMINO-PYRIDINE DERIVATIVES AS PI3K INHIBITORS INCYTE CORPORATION (US) 2014-03-06 US disclosed
WO-2012125629-A1 SUBSTITUTED DIAMINO-PYRIMIDINE AND DIAMINO-PYRIDINE DERIVATIVES AS PI3K INHIBITORS INCYTE CORPORATION (US) 2012-09-20 WO disclosed
WO-2012125629-A1 SUBSTITUTED DIAMINO-PYRIMIDINE AND DIAMINO-PYRIDINE DERIVATIVES AS PI3K INHIBITORS INCYTE CORPORATION (US) 2012-09-20 WO 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
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 (2 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 BCL2 1174/4885PIK3CD 13/4885NT5E 4372/4885
US-20140066448-A1 SUBSTITUTED DIAMINO-PYRIMIDINE AND DIAMINO-PYRIDINE DERIVATIVES AS PI3K INHIBITORS PIK3CA, PDPK1, PIK3CD BCL2 3181/4885PIK3CD 3/4885NT5E 1615/4885

“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.