SCHEMBL2196609

SCHEMBL2196609

O=C1Nc2ccc(Br)cc2C1=Cc1cc2c([nH]1)CCCC2

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 10/20 1.00
PDGFRB P09619 10/20 1.00
SRC P12931 8/20 1.00
FGFR1 P11362 7/20 1.00
RET P07949 3/20 0.66
MEN1 O00255 1/20 0.66
RGS12 O14924 1/20 0.66
NPC1 O15118 1/20 0.66
GMNN O75496 1/20 0.66
ALDH1A1 P00352 1/20 0.66
LMNA P02545 1/20 0.66
CYP1A2 P05177 1/20 0.66
FYN P06241 1/20 0.66
YES1 P07947 1/20 0.66
LYN P07948 1/20 0.66
CYP3A4 P08684 1/20 0.66
CYP2D6 P10635 1/20 0.66
MAPT P10636 1/20 0.66
CYP2C9 P11712 1/20 0.66
ALOX15 P16050 1/20 0.66

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
SCHEMBL14519097 1.00 KDR (1.00) KDRPDGFRBSRCFGFR1RET
SCHEMBL2196602 1.00 KDR (1.00) KDRPDGFRBSRCFGFR1RET
SCHEMBL14519101 0.86 PDGFRB (0.75) KDRPDGFRBSRCFGFR1RET
SCHEMBL15202711 0.86 PDGFRB (0.75) KDRPDGFRBSRCFGFR1RET
SCHEMBL14519102 0.86 PDGFRB (0.75) KDRPDGFRBSRCFGFR1RET
SCHEMBL1062998 0.85 KDR (1.00) KDRPDGFRBSRCFGFR1RET
SCHEMBL14519098 0.85 KDR (1.00) KDRPDGFRBSRCFGFR1RET
SCHEMBL1063000 0.85 KDR (1.00) KDRPDGFRBSRCFGFR1RET
SCHEMBL12335930 0.83 KDR (0.71) KDRPDGFRBSRCFGFR1RET
SCHEMBL3487517 0.83 KDR (0.85) KDRPDGFRBSRCFGFR1RET

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170172989-A1 TREATMENT OF CANCERS HAVING RESISTANCE TO CHEMOTHERAPEUTIC AGENTS BAYER HEALTHCARE LLC (US) 2017-06-22 US claimed
US-20100173954-A1 TREATMENT OF CANCERS HAVING RESISTANCE TO CHEMOTHERAPEUTIC AGENTS BAYER HEALTHCARE LLC (US) 2010-07-08 US claimed
EP-2114403-A2 TREATMENT OF CANCERS HAVING RESISTANCE TO CHEMOTHERAPEUTIC AGENTS Bayer Healthcare, LLC (US) 2009-11-11 EP claimed
WO-2008089388-A2 TREATMENT OF CANCERS HAVING RESISTANCE TO CHEMOTHERAPEUTIC AGENTS BAYER HEALTHCARE LLC (US) 2008-07-24 WO claimed
US-20170172989-A1 TREATMENT OF CANCERS HAVING RESISTANCE TO CHEMOTHERAPEUTIC AGENTS BAYER HEALTHCARE LLC (US) 2017-06-22 US disclosed
US-9439961-B2 Pharmaceutical composition for treating ischemic events NIIGATA UNIVERSITY (JP) 2016-09-13 US disclosed
US-20140127233-A1 PHARMACEUTICAL COMPOSITION FOR TREATING ISCHEMIC EVENTS NIIGATA UNIVERSITY (JP) 2014-05-08 US disclosed
US-8652476-B2 Pharmaceutical composition for treating ischemic events NIIGATA UNIVERSITY (JP) 2014-02-18 US disclosed
US-20120295965-A1 FUSED THIOPHENES AS DUAL INHIBITORS OF EGFR/VEGFR AND THEIR USE IN THE TREATMENT OF CANCER CORNING INCORPORATED 2012-11-22 US disclosed
US-20120189631-A1 PHARMACEUTICAL COMPOSITION FOR TREATING ISCHEMIC EVENTS NIIGATA UNIVERSITY (JP) 2012-07-26 US disclosed
WO-2011081971-A2 EGFR/VEGFR DUAL MODULATORS AND METHODS OF USING CORNING INCORPORATED (US) 2011-07-07 WO disclosed
US-20100173954-A1 TREATMENT OF CANCERS HAVING RESISTANCE TO CHEMOTHERAPEUTIC AGENTS BAYER HEALTHCARE LLC (US) 2010-07-08 US disclosed
WO-2007059155-A1 TREATMENT OF CANCERS HAVING RESISTANCE TO CHEMOTHERAPEUTIC AGENTS BAYER PHARMACEUTICALS CORPORATION (US) 2007-05-24 WO disclosed
US-20060241067-A1 Methods For inhibiting angiogenesis, cell migration, cell adhesion, and cell survival NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2006-10-26 US disclosed
WO-2004001384-A2 METHODS FOR INHIBITING ANGIOGENESIS, CELL MIGRATION, CELL ADHESION, AND CELL SURVIVAL THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2003-12-31 WO 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 (3 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-20170172989-A1 TREATMENT OF CANCERS HAVING RESISTANCE TO CHEMOTHERAPEUTIC AGENTS CDK4, TP53, ABCC1 KDR 2076/4885PDGFRB 2508/4885SRC 428/4885
US-20120295965-A1 FUSED THIOPHENES AS DUAL INHIBITORS OF EGFR/VEGFR AND THEIR USE IN THE TREATMENT OF CANCER EGFR, ERBB2, KDR KDR 3/4885PDGFRB 13/4885SRC 37/4885
US-20100173954-A1 TREATMENT OF CANCERS HAVING RESISTANCE TO CHEMOTHERAPEUTIC AGENTS CDK4, TP53, ABCC1 KDR 2076/4885PDGFRB 2508/4885SRC 428/4885

“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.