SCHEMBL14224952

SCHEMBL14224952

CC(=O)CNC(=O)c1cc(-c2csc(C)n2)cn1C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 7/20 0.44
▸ ALDH1A1 P00352 6/20 0.44
▸ RAB9A P51151 12/20 0.42
▸ NPC1 O15118 11/20 0.42
▸ SMN1; SMN2 Q16637 4/20 0.42
▸ CASP3 P42574 1/20 0.40
▸ CASP2 P42575 1/20 0.40
▸ MAPT P10636 3/20 0.39
▸ NFKB1 P19838 2/20 0.39
▸ NFKB2 Q00653 2/20 0.39
▸ RELA Q04206 2/20 0.39
▸ TRIM24 O15164 1/20 0.39
▸ POLB P06746 2/20 0.39
▸ GAA P10253 2/20 0.39
▸ HTT P42858 1/20 0.39
▸ MEN1 O00255 4/20 0.38
▸ KMT2A Q03164 4/20 0.38
▸ BLM P54132 1/20 0.38
▸ HPGD P15428 2/20 0.37
▸ P2RX7 Q99572 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
SCHEMBL16404165 0.91 KDM4E (0.44) KDM4EALDH1A1RAB9ANPC1SMN1; SMN2
SCHEMBL16404149 0.88 NPC1 (0.46) KDM4EALDH1A1RAB9ANPC1SMN1; SMN2
SCHEMBL16403932 0.88 ALDH1A1 (0.45) KDM4EALDH1A1RAB9ANPC1SMN1; SMN2
SCHEMBL16404058 0.86 SMN1; SMN2 (0.42) KDM4EALDH1A1RAB9ANPC1SMN1; SMN2
SCHEMBL16403964 0.86 KDM4E (0.49) KDM4EALDH1A1RAB9ANPC1SMN1; SMN2
SCHEMBL16403922 0.86 KDM4E (0.61) KDM4EALDH1A1RAB9ANPC1SMN1; SMN2
SCHEMBL14684741 0.85 ALDH1A1 (0.42) KDM4EALDH1A1RAB9ANPC1SMN1; SMN2
SCHEMBL16403989 0.85 RAB9A (0.41) KDM4EALDH1A1RAB9ANPC1SMN1; SMN2
SCHEMBL16403991 0.85 ALDH1A1 (0.40) KDM4EALDH1A1RAB9ANPC1SMN1; SMN2
SCHEMBL16403917 0.84 KDM4E (0.53) KDM4EALDH1A1RAB9ANPC1SMN1; SMN2

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-8937065-B2 Compositions and methods for modulating a kinase CLEVEXEL PHARMA (FR) 2015-01-20 — — US disclosed
US-20120316148-A1 Compositions and Methods for Modulating a Kinase DYNAMIX PHARMACEUTICALS LTD. (IL) 2012-12-13 — — 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 (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-20120316148-A1 Compositions and Methods for Modulating a Kinase PRKCH, MAP3K2, MAP3K6 KDM4E 2080/4885ALDH1A1 4672/4885RAB9A 3104/4885

“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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