SCHEMBL16804010

SCHEMBL16804010

C=Cc1nc(C(C)C)cs1

nearest known ligand 0.35

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CCR4 P51679 1/20 0.35
ALB P02768 2/20 0.32
CYP1A2 P05177 1/20 0.31
CYP2D6 P10635 1/20 0.31
CYP2C9 P11712 1/20 0.31
GRM1 Q13255 1/20 0.31
MEN1 O00255 1/20 0.30
POLB P06746 1/20 0.30
RAB9A P51151 1/20 0.30
KMT2A Q03164 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
SCHEMBL18737313 0.84 CDK4 (0.35)
SCHEMBL5908381 0.79 CCR4 (0.35) CCR4ALBCYP1A2CYP2D6CYP2C9
SCHEMBL14759148 0.73 ALB (0.36) CCR4ALBCYP1A2CYP2D6CYP2C9
SCHEMBL20780330 0.72 CCR4 (0.36) CCR4CYP1A2CYP2D6CYP2C9GRM1
SCHEMBL2264899 0.71
SCHEMBL10620526 0.71
SCHEMBL22838132 0.71 CCR4 (0.49) CCR4CYP1A2CYP2D6CYP2C9GRM1
SCHEMBL6298315 0.70 ALB (0.41) CCR4ALBCYP1A2CYP2D6CYP2C9
SCHEMBL6298312 0.70 ALB (0.41) CCR4ALBCYP1A2CYP2D6CYP2C9
SCHEMBL1656352 0.69

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12018002-B2 Certain chemical entities, compositions, and methods NEUPHARMA, INC (US) 2024-06-25 US disclosed
US-20230043970-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS NEUPHARMA, INC 2023-02-09 US disclosed
US-11208388-B2 Certain chemical entities, compositions, and methods NEUPHARMA, INC (US) 2021-12-28 US disclosed
US-10723753-B2 Ras inhibitors and uses thereof DANA-FARBER CANCER INSTITUTE, INC. (US) 2020-07-28 US disclosed
US-9879003-B2 Host targeted inhibitors of dengue virus and other viruses DANA-FARBER CANCER INSTITUTE, INC. (US) 2018-01-30 US disclosed
US-9694086-B2 HCV protease inhibitors and uses thereof CELGENE CAR LLC (BM) 2017-07-04 US disclosed
US-9663524-B2 Substituted pyrido[2,3-d]pyrimidines as protein kinase inhibitors CELGENE CAR LLC (BM) 2017-05-30 US disclosed
US-20160046661-A1 RAS INHIBITORS AND USES THEREOF DANA-FARBER CANCER INSTITUTE, INC. (US) 2016-02-18 US disclosed
US-20150166532-A1 HOST TARGETED INHIBITORS OF DENGUE VIRUS AND OTHER VIRUSES NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2015-06-18 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 (6 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-20230043970-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS BRAF, PIK3CA, PLK1 CCR4 2969/4885ALB 3942/4885CYP1A2 1481/4885
US-12018002-B2 Certain chemical entities, compositions, and methods BRAF, PIK3CA, PLK1 CCR4 2969/4885ALB 3942/4885CYP1A2 1481/4885
US-20150166532-A1 HOST TARGETED INHIBITORS OF DENGUE VIRUS AND OTHER VIRUSES RPL17, RPL26, RPL35 CCR4 4362/4885ALB 1060/4885CYP1A2 4256/4885
US-20160046661-A1 RAS INHIBITORS AND USES THEREOF KRAS, NRAS, RASGRP1 CCR4 4043/4885ALB 3278/4885CYP1A2 2920/4885
US-11208388-B2 Certain chemical entities, compositions, and methods BRAF, PIK3CA, PLK1 CCR4 2969/4885ALB 3942/4885CYP1A2 1481/4885
US-10723753-B2 Ras inhibitors and uses thereof KRAS, NRAS, RASGRP1 CCR4 4043/4885ALB 3278/4885CYP1A2 2920/4885

“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.