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SCHEMBL615406

SCHEMBL615406

COCC(=O)N1CCN(c2cnc(N)c(C(=O)Nc3ccccn3)n2)CC1

nearest known ligand 0.57

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ GRM5 P41594 10/20 0.57
▸ ALDH1A1 P00352 5/20 0.51
▸ HSD17B10 Q99714 5/20 0.51
▸ HPGD P15428 3/20 0.51
▸ SMN1; SMN2 Q16637 1/20 0.51
▸ ATR Q13535 2/20 0.48
▸ CYP2D6 P10635 2/20 0.48
▸ TSHR P16473 2/20 0.48
▸ HIF1A Q16665 1/20 0.48
▸ MEN1 O00255 1/20 0.45
▸ KMT2A Q03164 1/20 0.45
▸ SMO Q99835 1/20 0.44
▸ PTPN11 Q06124 1/20 0.44
▸ KDM4E B2RXH2 1/20 0.43
▸ MAPT P10636 1/20 0.43
▸ RECQL P46063 1/20 0.43

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
SCHEMBL614416 0.93 GRM5 (0.53) GRM5ALDH1A1HSD17B10HPGDSMN1; SMN2
SCHEMBL617366 0.90 GRM5 (0.53) GRM5ALDH1A1HSD17B10SMN1; SMN2ATR
SCHEMBL617715 0.89 GRM5 (0.61) GRM5ALDH1A1HSD17B10HPGDATR
SCHEMBL616829 0.87 GRM5 (0.55) GRM5ALDH1A1HSD17B10ATRCYP2D6
SCHEMBL614964 0.87 GRM5 (0.57) GRM5ALDH1A1HSD17B10ATRTSHR
SCHEMBL617365 0.87 GRM5 (0.62) GRM5ALDH1A1HSD17B10ATRMEN1
SCHEMBL615928 0.86 GRM5 (0.64) GRM5ALDH1A1HSD17B10HPGDATR
SCHEMBL615951 0.86 GRM5 (0.55) GRM5ALDH1A1HSD17B10HPGDSMN1; SMN2
SCHEMBL618370 0.84 GRM5 (0.58) GRM5ALDH1A1HSD17B10ATRTSHR
SCHEMBL10255558 0.84 GRM5 (0.60) GRM5ALDH1A1ATRTSHRPTPN11

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-20140113005-A1 COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-04-24 — — US disclosed
US-8410112-B2 Compounds useful as inhibitors of ATR kinase VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-04-02 — — US disclosed
US-8410112-B2 Compounds useful as inhibitors of ATR kinase VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-04-02 — — US disclosed
US-8410112-B2 Compounds useful as inhibitors of ATR kinase VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-04-02 — — US disclosed
US-20120040020-A1 COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-02-16 — — US disclosed
US-20120040020-A1 COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-02-16 — — US disclosed
US-20120040020-A1 COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-02-16 — — 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-20140113005-A1 COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE ATR, CHEK2, CHEK1 GRM5 3215/4885ALDH1A1 3958/4885HSD17B10 3987/4885
US-20120040020-A1 COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE ATR, CHEK2, CHEK1 GRM5 3215/4885ALDH1A1 3958/4885HSD17B10 3987/4885

“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.