SCHEMBL3134399

SCHEMBL3134399

Cc1c(C=C2C(=O)Nc3ccc(Br)cc32)[nH]c2c1C(=O)N(CCN1CCCCC1)CCC2

nearest known ligand 0.73

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PDGFRB P09619 17/20 0.73
KDR P35968 17/20 0.73
KIT P10721 11/20 0.73
AURKA O14965 2/20 0.51
FGFR1 P11362 4/20 0.49
SRC P12931 2/20 0.49
AURKB Q96GD4 1/20 0.47
RET P07949 1/20 0.46
TLK2 Q86UE8 1/20 0.46

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
SCHEMBL3134395 1.00 PDGFRB (0.73) PDGFRBKDRKITAURKAFGFR1
SCHEMBL3136234 0.99 PDGFRB (0.75) PDGFRBKDRKITAURKAFGFR1
SCHEMBL3136225 0.99 PDGFRB (0.75) PDGFRBKDRKITAURKAFGFR1
SCHEMBL137148 0.96 PDGFRB (0.80) PDGFRBKDRKITAURKAFGFR1
SCHEMBL154192 0.96 PDGFRB (0.80) PDGFRBKDRKITAURKAFGFR1
SCHEMBL137159 0.95 PDGFRB (0.81) PDGFRBKDRKITAURKAFGFR1
SCHEMBL154714 0.95 PDGFRB (0.81) PDGFRBKDRKITAURKAFGFR1
SCHEMBL13415538 0.94 KDR (0.82) PDGFRBKDRKITAURKAFGFR1
SCHEMBL13480248 0.90 PDGFRB (0.73) PDGFRBKDRKITAURKAFGFR1
SCHEMBL3132291 0.90 PDGFRB (0.90) PDGFRBKDRKITAURKAFGFR1

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-20130303518-A1 Methods of Inhibiting the Catalytic Activity of a Protein Kinase and of Treating a Protein Kinase Related Disorder SHANGHAI HENGRUI PHARMACEUTICAL CO., LTD. (CN) 2013-11-14 US disclosed
US-8329682-B2 Pyrrolo-nitrogenous heterocyclic derivatives, the preparation and the pharmaceutical use thereof SHANGHAI HENGRUI PHARMACEUTICAL CO., LTD. (CN) 2012-12-11 US disclosed
US-20100075952-A1 PYRROLO-NITROGENOUS HETEROCYCLIC DERIVATIES,THE PREPARATION AND THE PHARMCETICAL USE THEEOF SHANGHAI HENGRUI PHARMACEUTICAL CO., LTD (CN) 2010-03-25 US disclosed
EP-2157093-A1 PYRROLO-NITROGENOUS HETEROCYCLIC DERIVATIVES, THE PREPARATION AND THE PHARMACEUTICAL USE THEREOF Shanghai Hengrui Pharmaceutical Co. Ltd. (CN) 2010-02-24 EP 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-20100075952-A1 PYRROLO-NITROGENOUS HETEROCYCLIC DERIVATIES,THE PREPARATION AND THE PHARMCETICAL USE THEEOF MTOR, PKN2, MAP3K15 PDGFRB 651/4885KDR 1780/4885KIT 907/4885
US-20130303518-A1 Methods of Inhibiting the Catalytic Activity of a Protein Kinase and of Treating a Protein Kinase Related Disorder PRKACA, PACSIN2, PRKACB PDGFRB 2129/4885KDR 2952/4885KIT 1258/4885

“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.