SCHEMBL2164050

SCHEMBL2164050

CC(N)c1cc(Cl)c2cccnc2c1N1CCN(C(=O)c2ccccn2)CC1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 5/20 0.48
DRD2 P14416 2/20 0.43
HTR2A P28223 1/20 0.43
ALDH1A1 P00352 4/20 0.43
KDM4E B2RXH2 4/20 0.43
HTT P42858 3/20 0.43
MAPT P10636 2/20 0.43
PPP1CA P62136 2/20 0.43
ALPL P05186 1/20 0.43
ADAM17 P78536 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
LMNA P02545 1/20 0.41
HSP90AA1 P07900 1/20 0.41
GAA P10253 2/20 0.41
ALOX12 P18054 1/20 0.41
NCOA3 Q9Y6Q9 1/20 0.41
DPP4 P27487 1/20 0.41
DPP9 Q86TI2 1/20 0.41

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
SCHEMBL2164804 0.90 GBA1 (0.43) L3MBTL1ALDH1A1KDM4EHTTMAPT
SCHEMBL2163930 0.89 NPY2R (0.44) L3MBTL1ALDH1A1MAPTNPC1RAB9A
SCHEMBL2163317 0.87 SMN1; SMN2 (0.44) L3MBTL1ALDH1A1KDM4EHTTMAPT
SCHEMBL2164787 0.87 ALDH1A1 (0.52) L3MBTL1ALDH1A1KDM4EHTTMAPT
SCHEMBL2036388 0.87 L3MBTL1 (0.40) L3MBTL1HTR2AALDH1A1KDM4EHTT
SCHEMBL2164736 0.86 LMNA (0.52) L3MBTL1ALDH1A1KDM4EHTTMAPT
SCHEMBL2017181 0.85 L3MBTL1 (0.44) L3MBTL1ALDH1A1KDM4EHTTMAPT
SCHEMBL2164743 0.85 KMT2A (0.52) L3MBTL1ALDH1A1KDM4EHTTMAPT
SCHEMBL2164746 0.85 L3MBTL1 (0.50) L3MBTL1ALDH1A1KDM4EHTTMAPT
SCHEMBL2163856 0.84 ALDH1A1 (0.49) L3MBTL1ALDH1A1KDM4EHTTMAPT

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 L3MBTL1 2960/4885DRD2 2962/4885HTR2A 1405/4885

“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.