SCHEMBL2164797

SCHEMBL2164797

CC(N)c1cc(Cl)c2cccnc2c1N1CCN(CCO)CC1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.55
MAPT P10636 7/20 0.55
HTT P42858 6/20 0.55
TDP1 Q9NUW8 5/20 0.55
LMNA P02545 5/20 0.55
ALDH1A1 P00352 5/20 0.55
SMN1; SMN2 Q16637 4/20 0.55
MPI P34949 1/20 0.55
METAP2 P50579 3/20 0.46
L3MBTL1 Q9Y468 7/20 0.43
RAB9A P51151 5/20 0.43
KMT2A Q03164 4/20 0.43
NPSR1 Q6W5P4 2/20 0.43
USP2 O75604 1/20 0.43
MAPK1 P28482 1/20 0.43
NOD2 Q9HC29 1/20 0.43
ALOX12 P18054 3/20 0.43
ESR2 Q92731 1/20 0.43
HSP90AA1 P07900 6/20 0.42
PPP1CA P62136 2/20 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
SCHEMBL2163681 0.88 METAP2 (0.42) KDM4EMAPTHTTTDP1LMNA
SCHEMBL2165053 0.84 METAP2 (0.45) KDM4EMAPTHTTTDP1LMNA
SCHEMBL12631334 0.84 ALDH1A1 (0.49) KDM4EMAPTHTTTDP1LMNA
SCHEMBL12632004 0.84 ALDH1A1 (0.49) KDM4EMAPTHTTTDP1LMNA
SCHEMBL2015394 0.84 ALDH1A1 (0.42) KDM4EMAPTHTTTDP1LMNA
SCHEMBL2018505 0.83 ALDH1A1 (0.44) KDM4EMAPTHTTTDP1LMNA
SCHEMBL2171788 0.83 RAB9A (0.42) KDM4EMAPTHTTTDP1LMNA
SCHEMBL12632969 0.83 RAB9A (0.46) KDM4EMAPTHTTTDP1LMNA
SCHEMBL12632109 0.82 SLC40A1 (0.46) KDM4EMAPTHTTTDP1LMNA
SCHEMBL2054055 0.81 SMO (0.49) KDM4EMAPTHTTLMNAALDH1A1

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 5 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
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 1058/4885MAPT 4496/4885HTT 2725/4885

“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.