SCHEMBL21755916

SCHEMBL21755916

Nc1cc(F)c(F)cc1C(=O)Nc1cc#ccc1Cl

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FADS1 O60427 3/20 0.43
▸ RORC P51449 2/20 0.42
▸ NPC1 O15118 3/20 0.42
▸ RAB9A P51151 3/20 0.42
▸ KDM4E B2RXH2 1/20 0.42
▸ ALDH1A1 P00352 1/20 0.42
▸ MEN1 O00255 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ KCNMA1 Q12791 1/20 0.38
▸ CYP3A4 P08684 1/20 0.38
▸ CYP2D6 P10635 1/20 0.38
▸ CYP2C9 P11712 1/20 0.38
▸ CYP2C19 P33261 1/20 0.38
▸ KCNH2 Q12809 1/20 0.38
▸ TAS1R3 Q7RTX0 2/20 0.37
▸ TAS1R1 Q7RTX1 2/20 0.37
▸ TAS1R2 Q8TE23 2/20 0.37
▸ HPGD P15428 2/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ POLB P06746 1/20 0.37

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
SCHEMBL734813 0.78 CYP1A2 (0.59) FADS1RORCNPC1RAB9AKDM4E
SCHEMBL6590611 0.75 NPC1 (0.58) FADS1NPC1RAB9AALDH1A1MEN1
SCHEMBL4858997 0.70 SMN1; SMN2 (0.67) NPC1RAB9AKDM4EALDH1A1MEN1
SCHEMBL6593129 0.70 FADS1 (0.60) FADS1NPC1RAB9AALDH1A1MEN1
SCHEMBL21316663 0.69 KDM4E (0.49) RORCNPC1RAB9AKDM4EALDH1A1
SCHEMBL22720186 0.68 MEN1 (0.55) FADS1NPC1RAB9AKDM4EALDH1A1
SCHEMBL13362653 0.68 MEN1 (0.53) FADS1NPC1RAB9AMEN1KMT2A
SCHEMBL1203927 0.68 GAA (0.50) KDM4EPOLBAPEX1HDAC1
SCHEMBL17241866 0.66 EPHX2 (0.54) NPC1RAB9AALDH1A1MEN1KMT2A
SCHEMBL6643940 0.65 KDM4E (0.41) NPC1RAB9AKDM4EALDH1A1CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10695349-B2 Inhibitors of human phosphatidylinositol 3-kinase delta ICOS CORPORATION (US) 2020-06-30 — — US disclosed
US-20200061062-A1 INHIBITORS OF HUMAN PHOSPHATIDYLINOSITOL 3-KINASE DELTA ICOS CORPORATION 2020-02-27 — — US 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-20200061062-A1 INHIBITORS OF HUMAN PHOSPHATIDYLINOSITOL 3-KINASE DELTA PIK3CD, PIK3CA, PIK3CG FADS1 3204/4885RORC 527/4885NPC1 3305/4885
US-10695349-B2 Inhibitors of human phosphatidylinositol 3-kinase delta PIK3CD, PIK3CA, PIK3CG FADS1 3204/4885RORC 527/4885NPC1 3305/4885

“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.

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