SCHEMBL7706466

SCHEMBL7706466

CC(C)c1ccc2c(ccn2C)n1

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PRKCI P41743 1/20 0.36
DHFR P00374 1/20 0.36
CYP2A6 P11509 2/20 0.33
PIK3CB P42338 1/20 0.33
CYP19A1 P11511 1/20 0.32
PDE10A Q9Y233 2/20 0.32
HSD11B1 P28845 1/20 0.31
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
GAA P10253 1/20 0.31
MAOB P27338 1/20 0.30
APP P05067 1/20 0.30
NPC1 O15118 1/20 0.30
POLB P06746 1/20 0.30
RAB9A P51151 1/20 0.30

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
SCHEMBL18806159 0.81 HCAR3 (0.35) KDM4EALDH1A1NPC1RAB9A
SCHEMBL16417124 0.76 PRKCI (0.38) PRKCIDHFRCYP2A6PIK3CBPDE10A
SCHEMBL7924315 0.74 CYP1A2 (0.40) PRKCIDHFRCYP2A6PIK3CBHSD11B1
SCHEMBL1097841 0.72 PIK3CB (0.47) PRKCIDHFRCYP2A6PIK3CBHSD11B1
SCHEMBL20660906 0.72 SMN1; SMN2 (0.39) PRKCIDHFRCYP2A6PIK3CBCYP19A1
SCHEMBL30592233 0.72 SMN1; SMN2 (0.39) PRKCIDHFRCYP2A6PIK3CBCYP19A1
SCHEMBL31036108 0.72 PIK3CB (0.47) PRKCIDHFRCYP2A6PIK3CBHSD11B1
SCHEMBL15341872 0.72 KDM5B (0.33) APP
SCHEMBL13677496 0.71 NOS3 (0.34) PDE10ANPC1RAB9A
SCHEMBL19759418 0.71 DDB1 (0.37) CYP2A6PIK3CBPDE10AKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210236474-A1 IMIDAZO[4,5-C]PYRIDINE COMPOUNDS AS LSD-1 INHIBITORS UNIV MICHIGAN REGENTS (US) 2021-08-05 US disclosed
US-9994555-B2 Chromenone inhibitors of monocarboxylate transporters THE SCRIPPS RESEARCH INSTITUTE (US) 2018-06-12 US disclosed
US-20180009792-A1 CHROMENONE INHIBITORS OF MONOCARBOXYLATE TRANSPORTERS THE SCRIPPS RESEARCH INSTITUTE (US) 2018-01-11 US disclosed
US-20180008605-A1 PTERIDINE DIONE MONOCARBOXYLATE TRANSPORTER INHIBITORS THE SCRIPPS RESEARCH INSTITUTE (US) 2018-01-11 US disclosed
US-20180002343-A1 HETEROCYCLIC INHIBITORS OF MONOCARBOXYLATE TRANSPORTERS UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INCORPORATED 2018-01-04 US disclosed
WO-2011138657-A1 ARYL SUBSTITUTED OLEFINIC COMPOUNDS AS PDE10A INHIBITORS GLENMARK PHARMACEUTICALS S.A. (CH) 2011-11-10 WO 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 (4 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-20180002343-A1 HETEROCYCLIC INHIBITORS OF MONOCARBOXYLATE TRANSPORTERS SLC16A1, SLC16A3, SLC16A7 PRKCI 3474/4885DHFR 1056/4885CYP2A6 2538/4885
US-20210236474-A1 IMIDAZO[4,5-C]PYRIDINE COMPOUNDS AS LSD-1 INHIBITORS KDM1A, KDM4A, KDM1B PRKCI 2712/4885DHFR 1727/4885CYP2A6 952/4885
US-20180009792-A1 CHROMENONE INHIBITORS OF MONOCARBOXYLATE TRANSPORTERS SLC16A3, SLC16A1, SLC16A7 PRKCI 3856/4885DHFR 3276/4885CYP2A6 1583/4885
US-20180008605-A1 PTERIDINE DIONE MONOCARBOXYLATE TRANSPORTER INHIBITORS SLC16A1, SLC16A3, SLC16A7 PRKCI 3317/4885DHFR 353/4885CYP2A6 3344/4885

“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.