SCHEMBL17378596

SCHEMBL17378596

FC(F)(F)c1nc2ccccc2n1-c1ccccc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 3/20 0.59
HTT P42858 1/20 0.56
KDM4E B2RXH2 1/20 0.55
ALDH1A1 P00352 1/20 0.55
HPGD P15428 1/20 0.55
PIK3CB P42338 1/20 0.54
CYP1A2 P05177 1/20 0.49
CYP2D6 P10635 1/20 0.49
CYP2C9 P11712 1/20 0.49
CYP2C19 P33261 1/20 0.49
TSHR P16473 3/20 0.47
SLC22A12 Q96S37 1/20 0.46
RECQL P46063 1/20 0.44
ESR1 P03372 1/20 0.44
ESR2 Q92731 1/20 0.44
LMNA P02545 1/20 0.43
KMT2A Q03164 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
PRKACA P17612 1/20 0.43
RPS6KB1 P23443 1/20 0.43

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
SCHEMBL10041283 0.90 MAPK1 (0.56) MAPK1HTTKDM4EALDH1A1HPGD
SCHEMBL6443356 0.87 ESR2 (0.57) MAPK1HTTKDM4EALDH1A1HPGD
SCHEMBL3285853 0.87 MAPK1 (0.54) MAPK1HTTKDM4EALDH1A1HPGD
SCHEMBL2093959 0.85 CYP2C9 (0.53) MAPK1KDM4EALDH1A1HPGDPIK3CB
SCHEMBL12937256 0.84 MAPK1 (0.74) MAPK1HTTKDM4EALDH1A1HPGD
SCHEMBL10041284 0.83 MAPK1 (0.53) MAPK1HTTKDM4EALDH1A1HPGD
SCHEMBL2091385 0.83 MAPK1 (0.50) MAPK1HTTKDM4EALDH1A1HPGD
SCHEMBL16035164 0.82 RPS6KA5 (0.49) MAPK1HTTKDM4EALDH1A1HPGD
SCHEMBL12026134 0.82 MAPK1 (0.61) MAPK1HTTALDH1A1TSHRSLC22A12
SCHEMBL28574070 0.81 MAPK1 (0.42) MAPK1HTTKDM4EALDH1A1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3162799-B1 FLUOROALKYLATING AGENT KUMIAI CHEMICAL INDUSTRY CO (JP) 2021-03-10 EP disclosed
EP-3162799-B1 FLUOROALKYLATING AGENT KUMIAI CHEMICAL INDUSTRY CO (JP) 2021-03-10 EP disclosed
US-10696640-B2 Fluoroalkylating agent KUMIAI CHEMICAL INDUSTRY CO., LTD. (JP) 2020-06-30 US disclosed
US-10696640-B2 Fluoroalkylating agent KUMIAI CHEMICAL INDUSTRY CO., LTD. (JP) 2020-06-30 US disclosed
US-20190233380-A1 FLUOROALKYLATING AGENT KUMIAI CHEMICAL INDUSTRY CO., LTD. (JP) 2019-08-01 US disclosed
US-20190233380-A1 FLUOROALKYLATING AGENT KUMIAI CHEMICAL INDUSTRY CO., LTD. (JP) 2019-08-01 US disclosed
US-10308613-B2 Fluoroalkylating agent KUMIAI CHEMICAL INDUSTRY CO., LTD. (JP) 2019-06-04 US disclosed
US-10308613-B2 Fluoroalkylating agent KUMIAI CHEMICAL INDUSTRY CO., LTD. (JP) 2019-06-04 US disclosed
US-20170197920-A1 FLUOROALKYLATING AGENT IHARA CHEMICAL INDUSTRY CO., LTD. (JP) 2017-07-13 US disclosed
US-20170197920-A1 FLUOROALKYLATING AGENT IHARA CHEMICAL INDUSTRY CO., LTD. (JP) 2017-07-13 US disclosed
US-20170197920-A1 FLUOROALKYLATING AGENT IHARA CHEMICAL INDUSTRY CO., LTD. (JP) 2017-07-13 US disclosed
EP-3162799-A1 FLUOROALKYLATING AGENT Ihara Chemical Industry Co., Ltd. (JP) 2017-05-03 EP disclosed
EP-3162799-A1 FLUOROALKYLATING AGENT Ihara Chemical Industry Co., Ltd. (JP) 2017-05-03 EP disclosed
WO-2015199109-A1 FLUOROALKYLATING AGENT イハラケミカル工業株式会社 2015-12-30 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 (4 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-10308613-B2 Fluoroalkylating agent AFF1, AFF4, AFF2 MAPK1 2544/4885HTT 3680/4885KDM4E 2539/4885
US-10696640-B2 Fluoroalkylating agent AFF1, AFF4, AFF2 MAPK1 2544/4885HTT 3680/4885KDM4E 2539/4885
US-20190233380-A1 FLUOROALKYLATING AGENT AFF1, AFF4, AFF2 MAPK1 2544/4885HTT 3680/4885KDM4E 2539/4885
US-20170197920-A1 FLUOROALKYLATING AGENT AFF1, AFF4, AFF2 MAPK1 2544/4885HTT 3680/4885KDM4E 2539/4885

“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.