SCHEMBL14845826

SCHEMBL14845826

CCc1ccc(NCc2cccs2)nc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 5/20 0.54
▸ KMT2A Q03164 5/20 0.54
▸ FYN P06241 7/20 0.49
▸ CYP1A2 P05177 9/20 0.45
▸ CYP3A4 P08684 9/20 0.45
▸ CYP2D6 P10635 9/20 0.45
▸ CYP2C19 P33261 8/20 0.45
▸ CLK4 Q9HAZ1 7/20 0.45
▸ ALDH1A1 P00352 6/20 0.45
▸ ALOX15 P16050 5/20 0.45
▸ HSD17B10 Q99714 5/20 0.45
▸ TSHR P16473 5/20 0.45
▸ MAPK1 P28482 4/20 0.45
▸ CYP2C9 P11712 1/20 0.45
▸ GBA1 P04062 1/20 0.45
▸ TRPC5 Q9UL62 1/20 0.45
▸ HDAC3 O15379 1/20 0.44
▸ HDAC1 Q13547 1/20 0.44
▸ HDAC2 Q92769 1/20 0.44
▸ HDAC6 Q9UBN7 1/20 0.44

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
SCHEMBL10293000 0.89 FYN (0.47) MEN1KMT2AFYNCYP1A2CYP3A4
SCHEMBL7935771 0.85 FYN (0.46) MEN1KMT2AFYNCYP1A2CYP3A4
SCHEMBL10293002 0.77 HDAC3 (0.54) MEN1KMT2AFYNCYP1A2CYP3A4
SCHEMBL13662122 0.76 FABP1 (0.56) MEN1KMT2AALDH1A1TSHRMAPK1
SCHEMBL15061497 0.76 FYN (0.57) MEN1KMT2AFYNCYP1A2CYP3A4
SCHEMBL14416655 0.73 HCAR3 (0.53) CYP1A2CYP2D6ALDH1A1MAPK1
SCHEMBL2720169 0.73 CXCR4 (0.58) MEN1KMT2AFYNCYP1A2CYP3A4
SCHEMBL7945395 0.73 HDAC3 (0.53) FYNCYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL857120 0.72 CSF1R (0.68) MEN1KMT2AFYNCYP1A2CYP3A4
SCHEMBL13763288 0.72 ALDH1A1 (0.60) MEN1KMT2ACYP1A2CYP3A4CYP2D6

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-20160176865-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON INC (US) 2016-06-23 — — US disclosed
US-20150290205-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON INC (US) 2015-10-15 — — US disclosed
US-20130261117-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON INC. 2013-10-03 — — US disclosed
US-8470818-B2 Compounds and methods for kinase modulation, and indications therefor PLEXXIKON INC. (US) 2013-06-25 — — US disclosed
US-8415469-B2 Compounds and methods for kinase modulation, and indications therefor PLEXXIKON INC. (US) 2013-04-09 — — 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 (3 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-20130261117-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR MAP3K20, MAP3K13, MAP3K8 MEN1 1452/4885KMT2A 1133/4885FYN 390/4885
US-20150290205-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR MAP3K20, MAP3K13, MAP3K8 MEN1 1452/4885KMT2A 1133/4885FYN 390/4885
US-20160176865-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR MAP3K20, MAP3K13, MAP3K8 MEN1 1452/4885KMT2A 1133/4885FYN 390/4885

“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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