SCHEMBL21450996

SCHEMBL21450996

NCCCNc1nc2ccccc2c2c(=O)c3cc(F)ccc3sc12

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SYK P43405 5/20 0.41
HDAC1 Q13547 3/20 0.37
ROCK2 O75116 1/20 0.37
ROCK1 Q13464 1/20 0.37
HDAC3 O15379 2/20 0.36
HDAC2 Q92769 2/20 0.36
HDAC6 Q9UBN7 2/20 0.36
GLA P06280 1/20 0.36
TOP1 P11387 1/20 0.36
TOP2A P11388 1/20 0.36
CRHBP P24387 1/20 0.35
CRHR2 Q13324 1/20 0.35
STK17B O94768 1/20 0.34
STK17A Q9UEE5 1/20 0.34
FLT3 P36888 2/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
CHEK1 O14757 1/20 0.34

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
SCHEMBL30089846 1.00 SYK (0.41) SYKHDAC1ROCK2ROCK1HDAC3
SCHEMBL21875232 0.94 PRKCI (0.38) SYKHDAC1ROCK2ROCK1HDAC3
SCHEMBL30089850 0.94 PRKCI (0.38) SYKHDAC1ROCK2ROCK1HDAC3
SCHEMBL21451009 0.93 SYK (0.39) SYKHDAC1HDAC3HDAC2HDAC6
SCHEMBL21450995 0.90 RAD52 (0.42) HDAC1HDAC3HDAC2HDAC6FLT3
SCHEMBL30089855 0.89 HDAC3 (0.36) HDAC1HDAC3HDAC2HDAC6GLA
SCHEMBL21451010 0.89 HDAC3 (0.36) HDAC1HDAC3HDAC2HDAC6GLA
SCHEMBL30089833 0.89 GLA (0.36) HDAC1HDAC3HDAC2HDAC6GLA
SCHEMBL21875228 0.89 GLA (0.36) HDAC1HDAC3HDAC2HDAC6GLA
SCHEMBL21450924 0.88 SYK (0.41) SYKHDAC1ROCK2ROCK1HDAC3

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
CN-110945001-B FMS-like tyrosine kinase inhibitors 硕英生医股份有限公司 2022-11-25 CN claimed
US-11332476-B2 Fms-like tyrosine kinase inhibitors 3SM BIOTRON INC. (TW) 2022-05-17 US disclosed
US-11332476-B2 Fms-like tyrosine kinase inhibitors 3SM BIOTRON INC. (TW) 2022-05-17 US disclosed
US-20200131194-A1 FMS-LIKE TYROSINE KINASE INHIBITORS Sagabio Co., Ltd. (TW) 2020-04-30 US disclosed
US-20200131194-A1 FMS-LIKE TYROSINE KINASE INHIBITORS Sagabio Co., Ltd. (TW) 2020-04-30 US disclosed
WO-2019191896-A1 FMS-LIKE TYROSINE KINASE INHIBITORS 3SM BIOTRON INC. (CN) 2019-10-10 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 (2 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-11332476-B2 Fms-like tyrosine kinase inhibitors FLT3, FLT4, FLT1 SYK 74/4885HDAC1 1366/4885ROCK2 666/4885
US-20200131194-A1 FMS-LIKE TYROSINE KINASE INHIBITORS FLT3, FLT4, FLT1 SYK 74/4885HDAC1 1366/4885ROCK2 666/4885

“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.