SCHEMBL185907

SCHEMBL185907

Nc1n[nH]c2cccc(F)c12

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.61
PDPK1 O15530 2/20 0.61
KDR P35968 11/20 0.60
LCK P06239 4/20 0.60
CSF1R P07333 4/20 0.60
ABL1 P00519 4/20 0.60
ROCK1 Q13464 3/20 0.60
FLT1 P17948 3/20 0.60
MAP2K1 Q02750 2/20 0.60
FGFR1 P11362 2/20 0.60
PRKACA P17612 2/20 0.60
CDK5 Q00535 2/20 0.60
CLK4 Q9HAZ1 2/20 0.60
DAPK3 O43293 1/20 0.60
PRKD3 O94806 1/20 0.60
MAP4K4 O95819 1/20 0.60
PAK4 O96013 1/20 0.60
NTRK1 P04629 1/20 0.60
RET P07949 1/20 0.60
IGF1R P08069 1/20 0.60

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
SCHEMBL30248298 1.00 GAA (0.61) GAAPDPK1KDRLCKCSF1R
SCHEMBL16681068 0.84 KDR (0.65) GAAPDPK1KDRLCKCSF1R
SCHEMBL628649 0.79 PDPK1 (0.66) GAAPDPK1KDRLCKCSF1R
SCHEMBL30065304 0.79 PDPK1 (0.66) GAAPDPK1KDRLCKCSF1R
SCHEMBL12928484 0.76 PDPK1 (0.61) GAAPDPK1KDRLCKCSF1R
SCHEMBL760018 0.76 PDPK1 (0.61) GAAPDPK1KDRLCKCSF1R
SCHEMBL569660 0.76 GAA (0.61) GAAPDPK1KDRLCKCSF1R
SCHEMBL10368038 0.76 PDPK1 (0.61) GAAPDPK1KDRLCKCSF1R
SCHEMBL186280 0.76 GAA (1.00) GAAPDPK1KDRLCKCSF1R
SCHEMBL7736987 0.76 PDPK1 (0.61) GAAPDPK1KDRLCKCSF1R

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 126 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110818683-B 2-pyridine substituted urea structure small molecule compound and synthesis and application thereof 中国科学院上海药物研究所 2023-04-14 CN disclosed
CN-115484826-A Compositions and methods for controlling fungal diseases in plants FMC公司 2022-12-16 CN disclosed
CN-114258261-A Apparatus and method for reducing dust development in precision drilling 先正达参股股份有限公司 2022-03-29 CN disclosed
CN-114072384-A Microbicidal picolinamide derivatives 先正达农作物保护股份公司 2022-02-18 CN disclosed
US-11236096-B2 Fused pyrimidine compound or salt thereof TAIHO PHARMACEUTICAL CO., LTD. (JP) 2022-02-01 US disclosed
CN-113939510-A Microbicidal derivatives 先正达农作物保护股份公司 2022-01-14 CN disclosed
CN-113906034-A Microbicidal derivatives 先正达农作物保护股份公司 2022-01-07 CN disclosed
CN-113874353-A Microbicidal derivatives 先正达农作物保护股份公司 2021-12-31 CN disclosed
EP-3260454-B1 CONDENSED PYRIMIDINE COMPOUND OR SALT THEREOF TAIHO PHARMACEUTICAL CO LTD (JP) 2021-06-09 EP disclosed
US-11014930-B2 Fused pyrimidine compound or salt thereof TAIHO PHARMACEUTICAL CO., LTD. (JP) 2021-05-25 US disclosed
US-6610677-B2 Enhancing glycogen synthesis, lowering blood levels of glucose, treating colon, ovarian, or breast cancer, treating diabetes, treating schizophrenia VERTEX PHARMACEUTICALS INCORPORATED 2003-08-26 US disclosed
US-20030130328-A1 3-(Heteroarylamino)methylene-1, 3-dihydro-2H-indol-2-ones as kinase inhibitors ALLERGAN, INC. 2003-07-10 US disclosed
US-6559173-B1 organic molecules capable of modulating tyrosine kinase signal transduction in order to regulate, modulate and/or inhibit abnormal cell proliferation. ALLERGAN, INC. 2003-05-06 US disclosed
US-20030083327-A1 Pyrazole compounds useful as protein kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED 2003-05-01 US disclosed
US-20030078166-A1 Pyrazole compounds useful as protein kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED 2003-04-24 US disclosed
US-20030073687-A1 Pyrazole compounds useful as protein kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED 2003-04-17 US disclosed
US-20030064981-A1 Pyrazole compounds useful as protein kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED 2003-04-03 US disclosed
US-20030064982-A1 Pyrazole compounds useful as protein kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED 2003-04-03 US disclosed
WO-2003026650-A1 3-(HETEROARYLAMINO)METHYLENE-1,3-DIHYDRO-2H-INDOL-2-ONES AS KINASE INHIBITORS ALLERGAN, INC. (US) 2003-04-03 WO disclosed
US-20030055044-A1 Pyrazole compounds useful as protein kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED 2003-03-20 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 (9 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-20030064981-A1 Pyrazole compounds useful as protein kinase inhibitors AURKC, AURKA, GSK3A GAA 3700/4885PDPK1 178/4885KDR 1008/4885
US-11236096-B2 Fused pyrimidine compound or salt thereof RET, RB1, MECP2 GAA 3060/4885PDPK1 2485/4885KDR 847/4885
US-20030064982-A1 Pyrazole compounds useful as protein kinase inhibitors MAP3K20, CDK2, MAP2K2 GAA 2613/4885PDPK1 139/4885KDR 942/4885
US-20030083327-A1 Pyrazole compounds useful as protein kinase inhibitors AURKC, AURKA, GSK3B GAA 3354/4885PDPK1 230/4885KDR 1239/4885
US-20030055044-A1 Pyrazole compounds useful as protein kinase inhibitors AURKC, AURKA, GSK3B GAA 4018/4885PDPK1 159/4885KDR 1060/4885
US-11014930-B2 Fused pyrimidine compound or salt thereof RET, RB1, MECP2 GAA 3060/4885PDPK1 2485/4885KDR 847/4885
US-20030073687-A1 Pyrazole compounds useful as protein kinase inhibitors AURKC, AURKA, GSK3B GAA 4584/4885PDPK1 239/4885KDR 1906/4885
US-20030078166-A1 Pyrazole compounds useful as protein kinase inhibitors GSK3B, GSK3A, GSKIP GAA 3623/4885PDPK1 10/4885KDR 2419/4885
US-20030130328-A1 3-(Heteroarylamino)methylene-1, 3-dihydro-2H-indol-2-ones as kinase inhibitors ERBB2, MKI67, CDK2 GAA 2732/4885PDPK1 20/4885KDR 294/4885

“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.