SCHEMBL20767516

SCHEMBL20767516

C=Cc1cccnc1Cc1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.41
MET P08581 1/20 0.38
CALM1 P0DP23 1/20 0.38
PAX8 Q06710 1/20 0.37
TAAR1 Q96RJ0 1/20 0.37
ALDH1A1 P00352 1/20 0.35
HSD17B10 Q99714 1/20 0.35
TRIM24 O15164 1/20 0.35
TRIM33 Q9UPN9 1/20 0.35
LTB4R Q15722 1/20 0.35
CXCR4 P61073 1/20 0.35
SMO Q99835 1/20 0.35
LTA4H P09960 1/20 0.34
MAPK14 Q16539 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
LIMK2 P53671 1/20 0.34
BACE1 P56817 1/20 0.33
FABP1 P07148 1/20 0.33
FABP6 P51161 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
SCHEMBL20767501 0.85 PARP1 (0.45) KDM4ETRIM24TRIM33MEN1KMT2A
Bicarbonate SCHEMBL8962456 0.85 KDM4E (0.35) KDM4EPAX8ALDH1A1CXCR4MEN1
SCHEMBL28183445 0.84 KDM4E (0.42) KDM4EMETCALM1PAX8TAAR1
SCHEMBL17595558 0.84 TRIM24 (0.48) KDM4EMETCALM1PAX8TAAR1
SCHEMBL11633202 0.82 KDM4E (0.41) KDM4EMETCALM1PAX8TAAR1
SCHEMBL7640865 0.77 CALM1 (0.37) CALM1TAAR1ALDH1A1LTB4RSMO
SCHEMBL7640856 0.76 CALM1 (0.39) KDM4ECALM1TAAR1ALDH1A1HSD17B10
SCHEMBL38230 0.76 MET (0.40) KDM4EMETCALM1PAX8TAAR1
SCHEMBL29108311 0.76 ALDH1A1 (0.53) KDM4EALDH1A1HSD17B10TRIM24TRIM33
SCHEMBL10817580 0.76 ALDH1A1 (0.39) KDM4EALDH1A1HSD17B10TRIM24TRIM33

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250257027-A1 SECOND GENERATION GRP94-SELECTIVE INHIBITORS UNIVERSITY OF KANSAS (US) 2025-08-14 US disclosed
US-12269798-B2 Second generation GRP94-selective inhibitors UNIVERSITY OF KANSAS (US) 2025-04-08 US disclosed
US-20210300872-A1 SECOND GENERATION GRP94-SELECTIVE INHIBITORS UNIVERSITY OF KANSAS 2021-09-30 US disclosed
US-20210300872-A1 SECOND GENERATION GRP94-SELECTIVE INHIBITORS UNIVERSITY OF KANSAS 2021-09-30 US disclosed
US-11028041-B2 Second generation GRP94-selective inhibitors UNIVERSITY OF KANSAS (US) 2021-06-08 US disclosed
US-11028041-B2 Second generation GRP94-selective inhibitors UNIVERSITY OF KANSAS (US) 2021-06-08 US disclosed
US-20200190017-A1 SECOND GENERATION GRP94-SELECTIVE INHIBITORS UNIVERSITY OF KANSAS 2020-06-18 US disclosed
US-20200190017-A1 SECOND GENERATION GRP94-SELECTIVE INHIBITORS UNIVERSITY OF KANSAS 2020-06-18 US disclosed
WO-2019040792-A1 SECOND GENERATION GRP94-SELECTIVE INHIBITORS UNIVERSITY OF KANSAS (US) 2019-02-28 WO disclosed
WO-2019040792-A1 SECOND GENERATION GRP94-SELECTIVE INHIBITORS UNIVERSITY OF KANSAS (US) 2019-02-28 WO disclosed
CN-102154654-A Acid washing corrosion inhibitor ZHEJIANG FURWARD ANIMAL MEDICINE & HEALTH PRODUCTS CO LTD 2011-08-17 CN 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 (5 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-12269798-B2 Second generation GRP94-selective inhibitors HSP90B1, HSP90AB2P, HSPE1 KDM4E 4511/4885MET 716/4885CALM1 2173/4885
US-20210300872-A1 SECOND GENERATION GRP94-SELECTIVE INHIBITORS HSP90B1, HSP90AB2P, HSPE1 KDM4E 4511/4885MET 716/4885CALM1 2173/4885
US-20250257027-A1 SECOND GENERATION GRP94-SELECTIVE INHIBITORS HSP90B1, HSP90AB2P, HSPE1 KDM4E 4511/4885MET 737/4885CALM1 2110/4885
US-11028041-B2 Second generation GRP94-selective inhibitors HSP90B1, HSP90AB2P, HSPE1 KDM4E 4511/4885MET 737/4885CALM1 2110/4885
US-20200190017-A1 SECOND GENERATION GRP94-SELECTIVE INHIBITORS HSP90B1, HSP90AB2P, HSPE1 KDM4E 4511/4885MET 737/4885CALM1 2110/4885

“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.