SCHEMBL17087992

SCHEMBL17087992

CC(C)(C)CN1CCc2nc(C(C)(C)C)sc2C1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAD52 P43351 2/20 0.47
RECQL P46063 1/20 0.47
GRM5 P41594 5/20 0.39
KMT2A Q03164 5/20 0.38
ALDH1A1 P00352 4/20 0.38
GAA P10253 3/20 0.38
KDM4E B2RXH2 3/20 0.38
NPC1 O15118 3/20 0.38
RAB9A P51151 3/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
MAPK1 P28482 1/20 0.38
HRH3 Q9Y5N1 2/20 0.36
P2RY1 P47900 3/20 0.35
POLB P06746 1/20 0.33
MAPT P10636 5/20 0.33
CYP1A2 P05177 2/20 0.33
CYP2C9 P11712 2/20 0.33
CYP2C19 P33261 2/20 0.33
CYP2D6 P10635 1/20 0.33
HPGD P15428 1/20 0.33

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
SCHEMBL22966532 0.88 RAD52 (0.44) RAD52RECQLGRM5KMT2AALDH1A1
SCHEMBL2700638 0.86 RAD52 (0.63) RAD52RECQLGRM5KMT2AALDH1A1
SCHEMBL22966515 0.86 RAD52 (0.43) RAD52RECQLGRM5KMT2AALDH1A1
SCHEMBL16285304 0.84 RAD52 (0.49) RAD52RECQLGRM5KMT2AALDH1A1
SCHEMBL17088067 0.83 RAD52 (0.48) RAD52RECQLGRM5KMT2AALDH1A1
SCHEMBL16285309 0.82 RAD52 (0.44) RAD52RECQLGRM5KMT2AALDH1A1
SCHEMBL17088085 0.82 RAD52 (0.50) RAD52RECQLGRM5KMT2AALDH1A1
SCHEMBL17087990 0.81 RAD52 (0.43) RAD52RECQLGRM5KMT2AALDH1A1
SCHEMBL22966676 0.80 ALDH1A1 (0.45) RAD52RECQLGRM5KMT2AALDH1A1
SCHEMBL16285302 0.80 RAD52 (0.43) RAD52RECQLGRM5KMT2AALDH1A1

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-9540323-B2 7-hydroxy-indolinyl antagonists of P2Y1 receptor BRISTOL-MYERS SQUIBB COMPANY (US) 2017-01-10 US disclosed
US-20150259286-A1 7-HYDROXY-INDOLINYL ANTAGONISTS OF P2Y1 RECEPTOR BRISTOL-MYERS SQUIBB COMPANY 2015-09-17 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-20150259286-A1 7-HYDROXY-INDOLINYL ANTAGONISTS OF P2Y1 RECEPTOR P2RY1, P2RY11, P2RY2 RAD52 4386/4885RECQL 1766/4885GRM5 242/4885

“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.