SCHEMBL4075607

SCHEMBL4075607

Cc1c(Br)ccc2ncsc12

nearest known ligand 0.33

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.33
HSD17B10 Q99714 1/20 0.33
P2RX7 Q99572 2/20 0.32
KDM4E B2RXH2 1/20 0.30
NPC1 O15118 1/20 0.30
RAB9A P51151 1/20 0.30
HKDC1 Q2TB90 1/20 0.30
TDP1 Q9NUW8 1/20 0.30
L3MBTL1 Q9Y468 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
SCHEMBL8306186 0.79 ALDH1A1 (0.35) ALDH1A1HSD17B10P2RX7KDM4ENPC1
SCHEMBL23884995 0.76 ALDH1A1 (0.33) ALDH1A1HSD17B10KDM4ENPC1RAB9A
SCHEMBL21631702 0.76 ALDH1A1 (0.33) ALDH1A1HSD17B10KDM4ENPC1RAB9A
SCHEMBL18876099 0.76 P2RX7 (0.34) ALDH1A1HSD17B10P2RX7KDM4ENPC1
SCHEMBL3185104 0.76 DYRK1A (0.35) ALDH1A1HSD17B10P2RX7KDM4ENPC1
SCHEMBL20855206 0.76 ALDH1A1 (0.33) ALDH1A1HSD17B10KDM4ENPC1RAB9A
SCHEMBL30002369 0.76 P2RX7 (0.36) ALDH1A1HSD17B10P2RX7KDM4ENPC1
SCHEMBL19435587 0.76 NQO2 (0.44) ALDH1A1HSD17B10P2RX7KDM4ENPC1
SCHEMBL2722669 0.75 ALDH1A1 (0.46) ALDH1A1HSD17B10KDM4ENPC1RAB9A
SCHEMBL29324220 0.73 ADORA2A (0.33) ALDH1A1HSD17B10P2RX7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116406272-A DNA-PK selective inhibitor and preparation method and application thereof 首药控股(北京)股份有限公司 2023-07-07 CN disclosed
CN-114195805-A DNA-PK selective inhibitor and preparation method and application thereof 首药控股(北京)股份有限公司 2022-03-18 CN disclosed
WO-2022017368-A1 DNA-PK SELECTIVE INHIBITOR, PREPARATION METHOD THEREFOR AND USE THEREOF 首药控股(北京)股份有限公司 2022-01-27 WO disclosed
US-8507489-B2 Bicyclic triazoles as protein kinase modulators SGX PHARMACEUTICALS, INC. (US) 2013-08-13 US disclosed
US-8507489-B2 Bicyclic triazoles as protein kinase modulators SGX PHARMACEUTICALS, INC. (US) 2013-08-13 US disclosed
US-8507489-B2 Bicyclic triazoles as protein kinase modulators SGX PHARMACEUTICALS, INC. (US) 2013-08-13 US disclosed
EP-2084162-B1 BICYCLIC TRIAZOLES AS PROTEIN KINASE MODULATORS SGX PHARMACEUTICALS INC (US) 2012-09-12 EP disclosed
EP-2084162-B1 BICYCLIC TRIAZOLES AS PROTEIN KINASE MODULATORS SGX PHARMACEUTICALS INC (US) 2012-09-12 EP disclosed
US-20090258855-A1 BICYCLIC TRIAZOLES AS PROTEIN KINASE MODULATORS SGX PHARMACEUTICALS, INC. 2009-10-15 US disclosed
US-20090258855-A1 BICYCLIC TRIAZOLES AS PROTEIN KINASE MODULATORS SGX PHARMACEUTICALS, INC. 2009-10-15 US disclosed
US-20090258855-A1 BICYCLIC TRIAZOLES AS PROTEIN KINASE MODULATORS SGX PHARMACEUTICALS, INC. 2009-10-15 US disclosed
CN-101553490-A Bicyclic triazoles as protein kinase modulators SGX PHARMACEUTICALS INC (US) 2009-10-07 CN disclosed
EP-2084162-A2 BICYCLIC TRIAZOLES AS PROTEIN KINASE MODULATORS SGX Pharmaceuticals, Inc. (US) 2009-08-05 EP disclosed
WO-2008051808-A2 BICYCLIC TRIAZOLES AS PROTEIN KINASE MODULATORS SGX PHARMACEUTICALS, INC. (US) 2008-05-02 WO disclosed
WO-2008051808-A2 BICYCLIC TRIAZOLES AS PROTEIN KINASE MODULATORS SGX PHARMACEUTICALS, INC. (US) 2008-05-02 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 (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-20090258855-A1 BICYCLIC TRIAZOLES AS PROTEIN KINASE MODULATORS MAP3K20, TTK, PRKACB ALDH1A1 4730/4885HSD17B10 3055/4885P2RX7 3116/4885

“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.