SCHEMBL4310666

SCHEMBL4310666

CNC(=O)N(C)c1cc(CCl)ccn1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FGFR4 P22455 2/20 0.34
ROCK2 O75116 1/20 0.33
KMT2A Q03164 1/20 0.33
GCK P35557 1/20 0.33
LCK P06239 4/20 0.32
F11 P03951 1/20 0.32
MAPT P10636 4/20 0.31
ALDH1A1 P00352 2/20 0.31
TDP1 Q9NUW8 1/20 0.31
THRB P10828 1/20 0.31
CYP3A4 P08684 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
NPY5R Q15761 1/20 0.30
KDM4E B2RXH2 1/20 0.30
GABRP O00591 1/20 0.30
GABRD O14764 1/20 0.30
GABRA1 P14867 1/20 0.30
GABRB1 P18505 1/20 0.30
GABRG2 P18507 1/20 0.30
GABRB3 P28472 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
SCHEMBL4944832 0.82 GABRP (0.35) MAPTALDH1A1L3MBTL1KDM4EGABRP
SCHEMBL1941426 0.76 EED (0.36) KMT2AALDH1A1CYP3A4KDM4ERECQL
SCHEMBL4304907 0.75 SMN1; SMN2 (0.35) MAPTALDH1A1L3MBTL1KDM4EGABRP
SCHEMBL245411 0.72 PARP1 (0.50)
SCHEMBL7540622 0.71 ROCK2 (0.48) ROCK2ALDH1A1TDP1CYP3A4L3MBTL1
Hydrochloric Acid SCHEMBL245288 0.71 PARP1 (0.49)
SCHEMBL15049989 0.71 POLB (0.39) KMT2AMAPTALDH1A1L3MBTL1KDM4E
SCHEMBL4941670 0.71 ALDH1A1 (0.36) MAPTALDH1A1THRBL3MBTL1GABRP
SCHEMBL5718592 0.71 LOXL2 (0.41)
SCHEMBL4309467 0.70 GCK (0.52) KMT2AGCKNR3C2

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
US-20090023753-A1 1,3-Thiazole-5-Carboxamides Useful as Cancer Chemotherapeutic Agents BAYER HEALTHCARE AG (DE) 2009-01-22 US disclosed
US-20090023753-A1 1,3-Thiazole-5-Carboxamides Useful as Cancer Chemotherapeutic Agents BAYER HEALTHCARE AG (DE) 2009-01-22 US disclosed
US-20090023753-A1 1,3-Thiazole-5-Carboxamides Useful as Cancer Chemotherapeutic Agents BAYER HEALTHCARE AG (DE) 2009-01-22 US disclosed
EP-1891047-A4 1-METHYL-1H-PYRAZOLE-4-CARBOXAMIDES USEFUL AS CANCER CHEMOTHERAPEUTIC AGENTS BAYER HEALTHCARE AG (DE) 2008-07-09 EP disclosed
EP-1891047-A2 1-METHYL-1H-PYRAZOLE-4-CARBOXAMIDES USEFUL AS CANCER CHEMOTHERAPEUTIC AGENTS Bayer HealthCare AG (DE) 2008-02-27 EP disclosed
EP-1858893-A1 1,3-THIAZOLE-5-CARBOXAMIDES USEFUL AS CANCER CHEMOTHERAPEUTIC AGENTS Bayer Pharmaceuticals Corporation (US) 2007-11-28 EP disclosed
WO-2006133006-A2 1-METHYL-1H-PYRAZOLE-4-CARBOXAMIDES USEFUL AS CANCER CHEMOTHERAPEUTIC AGENTS BAYER HEALTHCARE AG (DE) 2006-12-14 WO disclosed
WO-2006096338-A1 1,3-THIAZOLE-5-CARBOXAMIDES USEFUL AS CANCER CHEMOTHERAPEUTIC AGENTS BAYER HEALTHCARE AG (DE) 2006-09-14 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-20090023753-A1 1,3-Thiazole-5-Carboxamides Useful as Cancer Chemotherapeutic Agents MCL1, HDAC5, HDAC6 FGFR4 1588/4885ROCK2 3326/4885KMT2A 1094/4885

“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.