SCHEMBL3136545

SCHEMBL3136545

Cc1c(/C=C2\C(=O)Nc3cccc(-c4cccc(F)c4F)c32)[nH]c2c1C(=O)N(CCN1CCCCC1)CCC2

nearest known ligand 0.62

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PDGFRB P09619 15/20 0.62
KDR P35968 15/20 0.62
KIT P10721 11/20 0.62
FLT3 P36888 3/20 0.43
FGFR1 P11362 2/20 0.39
TLK2 Q86UE8 1/20 0.38
AURKA O14965 2/20 0.38
AURKB Q96GD4 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
SCHEMBL3136552 1.00 PDGFRB (0.62) PDGFRBKDRKITFLT3FGFR1
SCHEMBL3130068 0.99 PDGFRB (0.63) PDGFRBKDRKITFLT3FGFR1
SCHEMBL3130078 0.99 PDGFRB (0.63) PDGFRBKDRKITFLT3FGFR1
SCHEMBL137179 0.96 PDGFRB (0.67) PDGFRBKDRKITFLT3FGFR1
SCHEMBL156392 0.96 PDGFRB (0.67) PDGFRBKDRKITFLT3FGFR1
SCHEMBL156093 0.95 PDGFRB (0.68) PDGFRBKDRKITFLT3FGFR1
SCHEMBL140000 0.95 PDGFRB (0.68) PDGFRBKDRKITFLT3FGFR1
SCHEMBL3131231 0.94 KDR (0.70) PDGFRBKDRKITFLT3FGFR1
SCHEMBL3131225 0.94 KDR (0.70) PDGFRBKDRKITFLT3FGFR1
SCHEMBL139308 0.90 PDGFRB (0.69) PDGFRBKDRKITFLT3FGFR1

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 11 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-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-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-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-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
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
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
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.