SCHEMBL18205121

SCHEMBL18205121

Cc1ccc2nc(NC(=O)C(N)c3ccccc3)sc2c1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACP1 P24666 3/20 0.71
DYRK1A Q13627 1/20 0.61
NPC1 O15118 7/20 0.58
RAB9A P51151 7/20 0.58
MAPT P10636 2/20 0.58
OPRK1 P41145 1/20 0.58
HTT P42858 1/20 0.58
KMT2A Q03164 4/20 0.57
MEN1 O00255 3/20 0.57
SCD O00767 4/20 0.55
CSNK1D P48730 2/20 0.55
SMN1; SMN2 Q16637 3/20 0.55
TP53 P04637 2/20 0.55
KDM4E B2RXH2 1/20 0.55
ALDH1A1 P00352 1/20 0.55
NFKB1 P19838 1/20 0.55
NFKB2 Q00653 1/20 0.55
RELA Q04206 1/20 0.55
HSD17B10 Q99714 1/20 0.55
MITF O75030 1/20 0.55

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
SCHEMBL16896934 1.00 ACP1 (0.71) ACP1DYRK1ANPC1RAB9AMAPT
SCHEMBL18205120 0.87 ACP1 (0.72) ACP1DYRK1ANPC1RAB9AMAPT
SCHEMBL18205118 0.87 ACP1 (0.72) ACP1DYRK1ANPC1RAB9AMAPT
SCHEMBL2753558 0.84 ACP1 (0.68) ACP1DYRK1ANPC1RAB9AMAPT
SCHEMBL19844519 0.83 ACP1 (0.61) ACP1DYRK1ANPC1RAB9AMAPT
SCHEMBL18289904 0.83 ACP1 (1.00) ACP1DYRK1ANPC1RAB9AMAPT
SCHEMBL19844515 0.83 ACP1 (0.61) ACP1DYRK1ANPC1RAB9AMAPT
SCHEMBL2891915 0.79 ACP1 (0.62) ACP1DYRK1ANPC1RAB9AMAPT
SCHEMBL5713530 0.79 MAP3K5 (0.75) DYRK1ANPC1RAB9AMAPTOPRK1
SCHEMBL19844508 0.79 DYRK1A (0.61) ACP1DYRK1ANPC1RAB9AMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9944648-B2 Organic compounds INTRA-CELLULAR THERAPIES, INC. (US) 2018-04-17 US disclosed
US-20170190703-A9 ORGANIC COMPOUNDS INTRA-CELLULAR THERAPIES, INC. (US) 2017-07-06 US disclosed
US-20160326179-A1 ORGANIC COMPOUNDS INTRA-CELLULAR THERAPIES, INC. (US) 2016-11-10 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-20170190703-A9 ORGANIC COMPOUNDS PSEN1, CKMT1A; CKMT1B, GSK3A ACP1 70/4885DYRK1A 1301/4885NPC1 396/4885
US-20160326179-A1 ORGANIC COMPOUNDS PSEN1, CKMT1A; CKMT1B, GSK3A ACP1 70/4885DYRK1A 1301/4885NPC1 396/4885

“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.