SCHEMBL3133199

SCHEMBL3133199

Cc1c(/C=C2\C(=O)Nc3ccc(F)cc32)[nH]c2c1C(=O)N(CCN1CCCC1)CCC2

nearest known ligand 0.92

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDGFRB P09619 17/20 0.92
KDR P35968 17/20 0.92
KIT P10721 12/20 0.92
FGFR1 P11362 4/20 0.58
TLK2 Q86UE8 1/20 0.58
FLT3 P36888 3/20 0.53
CSF1R P07333 2/20 0.53
FLT1 P17948 2/20 0.53
PDGFRA P16234 1/20 0.53
AURKA O14965 2/20 0.52
CHEK1 O14757 1/20 0.51
ABL1 P00519 1/20 0.51
LCK P06239 1/20 0.51
FYN P06241 1/20 0.51
RET P07949 1/20 0.51
PHKG2 P15735 1/20 0.51
FGFR3 P22607 1/20 0.51
AXL P30530 1/20 0.51
ABL2 P42684 1/20 0.51
PTK2 Q05397 1/20 0.51

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
SCHEMBL3133205 1.00 PDGFRB (0.92) PDGFRBKDRKITFGFR1TLK2
SCHEMBL3132295 0.99 PDGFRB (0.90) PDGFRBKDRKITFGFR1TLK2
SCHEMBL3132291 0.99 PDGFRB (0.90) PDGFRBKDRKITFGFR1TLK2
SCHEMBL139947 0.96 PDGFRB (1.00) PDGFRBKDRKITFGFR1TLK2
SCHEMBL154887 0.96 PDGFRB (1.00) PDGFRBKDRKITFGFR1TLK2
SCHEMBL151867 0.95 PDGFRB (0.98) PDGFRBKDRKITFGFR1TLK2
SCHEMBL139283 0.95 PDGFRB (0.98) PDGFRBKDRKITFGFR1TLK2
SCHEMBL3133138 0.94 KDR (1.00) PDGFRBKDRKITFGFR1TLK2
SCHEMBL3133130 0.94 KDR (1.00) PDGFRBKDRKITFGFR1TLK2
SCHEMBL13480214 0.90 KDR (0.92) PDGFRBKDRKITFGFR1TLK2

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.