SCHEMBL20067072

SCHEMBL20067072

CC(=O)c1cc2cc(Br)c(N)cc2[nH]1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR35 Q9HC97 1/20 0.39
HRH4 Q9H3N8 5/20 0.36
PIN1 Q13526 1/20 0.36
FLT3 P36888 3/20 0.35
HDAC2 Q92769 1/20 0.35
EIF4A3 P38919 2/20 0.35
EGFR P00533 2/20 0.35
PIK3CA P42336 2/20 0.35
PDGFRB P09619 2/20 0.34
ABL1 P00519 1/20 0.34
KIT P10721 1/20 0.34
BCR P11274 1/20 0.34
PDGFRA P16234 1/20 0.34
KDM4E B2RXH2 1/20 0.34
MEN1 O00255 1/20 0.34
NPC1 O15118 1/20 0.34
ALDH1A1 P00352 1/20 0.34
LMNA P02545 1/20 0.34
GLA P06280 1/20 0.34
GAA P10253 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
SCHEMBL18131088 0.79 KDM4E (0.60) KDM4EMEN1NPC1ALDH1A1LMNA
SCHEMBL20067067 0.75 MAPT (0.39) GPR35HRH4KDM4EALDH1A1LMNA
SCHEMBL20067066 0.74 MAPT (0.45) GPR35PIN1FLT3HDAC2EGFR
SCHEMBL12862877 0.72 HRH4 (0.58) HRH4PIN1FLT3HDAC2PDGFRB
SCHEMBL2730304 0.72 HRH4 (0.58) HRH4FLT3EIF4A3HRH3
SCHEMBL2729921 0.72 FLT3 (0.61) HRH4PIN1FLT3HDAC2PDGFRB
SCHEMBL14638365 0.72 HRH4 (0.58) HRH4FLT3EIF4A3EGFRPIK3CA
SCHEMBL22529436 0.72 EIF4A3 (0.53) GPR35HRH4PIN1FLT3EIF4A3
SCHEMBL15223730 0.70 HRH4 (0.62) HRH4PIN1FLT3HDAC2EGFR
SCHEMBL6419283 0.70 PLG (0.51) HRH4FLT3EIF4A3EGFRPIK3CA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180105518-A1 TRKA KINASE INHIBITORS, COMPOSITIONS AND METHODS THEREOF MERCK SHARP & DOHME CORP. (US) 2018-04-19 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-20180105518-A1 TRKA KINASE INHIBITORS, COMPOSITIONS AND METHODS THEREOF NGFR, NTRK2, NGF GPR35 376/4885HRH4 1031/4885PIN1 1423/4885

“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.