SCHEMBL168037

SCHEMBL168037

CCOc1cn(-c2ccc(F)cc2OCc2ccccc2)nc1C(=O)Cl

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 1/20 0.42
PPIA P62937 1/20 0.40
HTR1A P08908 1/20 0.40
ADRA1D P25100 1/20 0.40
ADRA1A P35348 1/20 0.40
ADRA1B P35368 1/20 0.40
BRD4 O60885 1/20 0.39
PTGER1 P34995 4/20 0.39
KDM4E B2RXH2 3/20 0.39
LMNA P02545 3/20 0.39
LRRK2 Q5S007 1/20 0.39
GRIN1 Q05586 1/20 0.39
GRIN2B Q13224 1/20 0.39
MEN1 O00255 1/20 0.39
ALDH1A1 P00352 1/20 0.39
HTT P42858 1/20 0.39
KMT2A Q03164 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
AURKA O14965 1/20 0.38
ABL1 P00519 1/20 0.38

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
SCHEMBL30030621 0.82 AURKA (0.51) MRGPRX4KDM4ELMNAGRIN1GRIN2B
SCHEMBL166572 0.82 AURKA (0.51) MRGPRX4KDM4ELMNAGRIN1GRIN2B
SCHEMBL168945 0.82 AURKA (0.42) KDM4ELMNAALDH1A1SMN1; SMN2AURKA
SCHEMBL176089 0.76 NPC1 (0.56) KDM4ELMNAMEN1ALDH1A1KMT2A
SCHEMBL167526 0.76 AURKA (0.42) PTGER1KDM4ELMNAMEN1ALDH1A1
SCHEMBL167624 0.74 AURKA (0.52) MRGPRX4PTGER1KDM4ELMNAGRIN1
Hydrochloric Acid SCHEMBL28408091 0.73 AURKA (0.51) MRGPRX4PTGER1KDM4ELMNAGRIN1
SCHEMBL4715074 0.73 NPSR1 (0.50) PPIABRD4PTGER1KDM4ELMNA
SCHEMBL4718330 0.72 PTGER1 (0.49) MRGPRX4BRD4PTGER1LMNAMEN1
SCHEMBL164749 0.71 AURKA (0.51) KDM4ELMNAGRIN1GRIN2BMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8999982-B2 Pharmaceutically active compounds as Axl inhibitors LEAD DISCOVERY CENTER GMBH (DE) 2015-04-07 US disclosed
EP-2609091-B1 PHARMACEUTICALLY ACTIVE COMPOUNDS AS AXL INHIBITORS LEAD DISCOVERY CENTER GMBH (DE) 2014-11-26 EP disclosed
US-20140018365-A1 PHARMACEUTICALLY ACTIVE COMPOUNDS AS AXL INHIBITORS MAX-PLANCK-GESELLSCHAFT ZUR FÖRDERUNG DER WISSENSCCHAFTEN E.V. (DE) 2014-01-16 US disclosed
EP-2609091-A1 PHARMACEUTICALLY ACTIVE COMPOUNDS AS AXL INHIBITORS Lead Discovery Center GmbH (DE) 2013-07-03 EP disclosed
WO-2012028332-A1 PHARMACEUTICALLY ACTIVE COMPOUNDS AS AXL INHIBITORS LEAD DISCOVERY CENTER GMBH (DE) 2012-03-08 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-20140018365-A1 PHARMACEUTICALLY ACTIVE COMPOUNDS AS AXL INHIBITORS AXL, FLT3, ERBB3 MRGPRX4 1011/4885PPIA 3952/4885HTR1A 2205/4885

“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.