SCHEMBL9908382

SCHEMBL9908382

CCc1cnc(SC)nc1

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CA12 O43570 4/20 0.37
CA1 P00915 4/20 0.37
CA2 P00918 4/20 0.37
CA6 P23280 4/20 0.37
CA7 P43166 4/20 0.37
CA13 Q8N1Q1 4/20 0.37
KDM4E B2RXH2 3/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
MAPT P10636 3/20 0.34
RECQL P46063 1/20 0.34
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
POLB P06746 2/20 0.33
SLC5A2 P31639 1/20 0.33
ALDH1A1 P00352 2/20 0.33
TDP1 Q9NUW8 2/20 0.33
HPGD P15428 1/20 0.33
NPSR1 Q6W5P4 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
SCHEMBL30687236 0.85 CA12 (0.31) CA12CA1CA2CA6CA7
SCHEMBL485902 0.78 LMNA (0.37) KDM4EMAPTRECQLMEN1KMT2A
SCHEMBL19705590 0.78 CA12 (0.43) CA12CA1CA2CA6CA7
SCHEMBL6477427 0.78 LOXL2 (0.33) KDM4EMAPTRECQLMEN1KMT2A
SCHEMBL2222860 0.78 LMNA (0.34) KDM4EMAPTRECQLMEN1KMT2A
SCHEMBL4378015 0.78 MEN1 (0.36) KDM4EMAPTRECQLMEN1KMT2A
Hydrochloric Acid SCHEMBL6526925 0.76 KDM4E (0.33) KDM4EMAPTRECQLMEN1KMT2A
Hydrochloric Acid SCHEMBL22468715 0.76 MEN1 (0.35) KDM4EMAPTRECQLMEN1KMT2A
SCHEMBL20969949 0.76 MEN1 (0.33) KDM4EL3MBTL1MAPTRECQLMEN1
SCHEMBL20857359 0.75 ESR1 (0.35) KDM4EMAPTRECQLMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024097805-A1 MIXED LINEAGE KINASE DOMAIN LIKE PSEUDOKINASE (MLKL) ACTIVATORS TRUSTEES OF TUFTS COLLEGE (US) 2024-05-10 WO disclosed
US-10399932-B2 Inhibitors of indoleamine-2,3-dioxygenase for the treatment of cancer BRISTOL-MYERS SQUIBB COMPANY (US) 2019-09-03 US disclosed
US-20180079712-A1 INHIBITORS OF INDOLEAMINE-2,3-DIOXYGENASE FOR THE TREATMENT OF CANCER BRISTOL MYERS SQUIBB CO (US) 2018-03-22 US disclosed
US-9732083-B2 Tricyclic gyrase inhibitors MERCK SHARP & DOHME CORP. (US) 2017-08-15 US disclosed
US-20150246934-A1 TRICYCLIC GYRASE INHIBITORS MERCK SHARP & DOHME LLC 2015-09-03 US disclosed
US-20120238751-A1 TRICYCLIC GYRASE INHIBITORS TRIUS THERAPEUTICS, INC. (US) 2012-09-20 US disclosed
US-8198273-B2 Compounds and methods for kinase modulation, and indications therefor PLEXXIKON INC. (US) 2012-06-12 US disclosed
US-20100286142-A1 Compounds and Methods for Kinase Modulation, and Indications Therefor PLEXXIKON, INC. 2010-11-11 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 (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-20120238751-A1 TRICYCLIC GYRASE INHIBITORS TOP1, TOP2A, TOP2B CA12 2893/4885CA1 2286/4885CA2 1428/4885
US-20150246934-A1 TRICYCLIC GYRASE INHIBITORS TOP1, TOP2A, TOP2B CA12 2845/4885CA1 2004/4885CA2 1316/4885
US-10399932-B2 Inhibitors of indoleamine-2,3-dioxygenase for the treatment of cancer IDO1, IDO2, INMT CA12 2043/4885CA1 2221/4885CA2 1487/4885
US-20100286142-A1 Compounds and Methods for Kinase Modulation, and Indications Therefor BRAF, ARAF, RAF1 CA12 1334/4885CA1 811/4885CA2 2113/4885
US-20180079712-A1 INHIBITORS OF INDOLEAMINE-2,3-DIOXYGENASE FOR THE TREATMENT OF CANCER IDO1, IDO2, INMT CA12 2043/4885CA1 2221/4885CA2 1487/4885

“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.