SCHEMBL3705933

SCHEMBL3705933

COc1ccc(F)cc1NC(=O)Nc1cccc2c1CCN2Cc1ccnc2[nH]ccc12

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.39
BTK Q06187 2/20 0.39
MEN1 O00255 2/20 0.39
MAPT P10636 2/20 0.39
HTT P42858 1/20 0.39
KDR P35968 4/20 0.39
HTR3E A5X5Y0 1/20 0.39
HTR3B O95264 1/20 0.39
HTR3A P46098 1/20 0.39
HTR3D Q70Z44 1/20 0.39
HTR3C Q8WXA8 1/20 0.39
HTR1A P08908 1/20 0.37
HTR2A P28223 1/20 0.37
HTR7 P34969 1/20 0.37
HTR6 P50406 1/20 0.37
MAP3K7 O43318 1/20 0.37
RAB9A P51151 1/20 0.37
MET P08581 2/20 0.36
IGF1R P08069 2/20 0.36
MAPK8 P45983 2/20 0.36

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
SCHEMBL15053889 0.92 BTK (0.39) KMT2ABTKMEN1MAPTHTT
SCHEMBL3699717 0.92 BTK (0.44) KMT2ABTKMEN1MAPTKDR
SCHEMBL3707580 0.92 MEN1 (0.44) KMT2ABTKMEN1MAPTHTT
SCHEMBL3701262 0.92 KDM4E (0.42) KMT2ABTKMEN1MAPTHTT
SCHEMBL3706782 0.91 KDR (0.38) KMT2ABTKMEN1MAPTKDR
SCHEMBL3707818 0.91 ALDH1A1 (0.46) KMT2AMEN1MAPTKDRIGF1R
Hydrochloric Acid SCHEMBL3699244 0.90 ALDH1A1 (0.45) KMT2AMEN1MAPTKDRIGF1R
SCHEMBL3710755 0.89 HTR1A (0.50) KMT2AMEN1MAPTHTTHTR3E
SCHEMBL3695095 0.86 BTK (0.43) KMT2ABTKMEN1MAPTKDR
SCHEMBL3702643 0.86 JAK2 (0.41) BTKHTTKDRMAP3K7RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8648086-B2 5,6-bicyclic heteroaryl-containing urea compounds as kinase inhibitors ASCEPION PHARMACEUTICALS, INC. (CN) 2014-02-11 US claimed
US-20120122895-A1 5,6-BICYCLIC HETEROARYL-CONTAINING UREA COMPOUNDS AS KINASE INHIBITORS JIANG, SHAN 2012-05-17 US claimed
US-8648086-B2 5,6-bicyclic heteroaryl-containing urea compounds as kinase inhibitors ASCEPION PHARMACEUTICALS, INC. (CN) 2014-02-11 US disclosed
US-20120122895-A1 5,6-BICYCLIC HETEROARYL-CONTAINING UREA COMPOUNDS AS KINASE INHIBITORS JIANG, SHAN 2012-05-17 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 (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-20120122895-A1 5,6-BICYCLIC HETEROARYL-CONTAINING UREA COMPOUNDS AS KINASE INHIBITORS FLT3, CSF1R, EPHA2 KMT2A 1244/4885BTK 38/4885MEN1 1556/4885

“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.