SCHEMBL1623742

SCHEMBL1623742

Cc1cc(Nc2cc(C)c(C#N)c(Cl)n2)n[nH]1

nearest known ligand 0.61

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
AURKA O14965 19/20 0.61
CYP3A4 P08684 8/20 0.54
CYP2D6 P10635 5/20 0.54
CYP1A2 P05177 4/20 0.54
CYP2C9 P11712 4/20 0.52
FYN P06241 3/20 0.52
YES1 P07947 3/20 0.52
SRC P12931 3/20 0.52
AURKB Q96GD4 3/20 0.52
CYP2C19 P33261 3/20 0.50
RAB29 O14966 1/20 0.50
LYN P07948 1/20 0.50
FGFR1 P11362 1/20 0.50
KDR P35968 1/20 0.50

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
SCHEMBL1622443 0.87 AURKA (0.51) AURKACYP3A4CYP2D6CYP1A2CYP2C9
SCHEMBL1620867 0.84 AURKA (0.48) AURKACYP3A4CYP2D6CYP1A2CYP2C9
SCHEMBL1620858 0.84 AURKA (0.51) AURKACYP3A4CYP2D6CYP1A2CYP2C9
SCHEMBL1623919 0.84 AURKA (0.46) AURKACYP3A4CYP2D6CYP1A2CYP2C9
SCHEMBL1623211 0.84 AURKA (0.46) AURKACYP3A4CYP2D6CYP1A2CYP2C9
SCHEMBL1622247 0.83 AURKA (0.47) AURKACYP3A4CYP2D6CYP1A2CYP2C9
SCHEMBL4364979 0.83 AURKA (0.48) AURKACYP3A4CYP2D6CYP1A2CYP2C9
SCHEMBL1623989 0.82 AURKA (0.47) AURKACYP3A4CYP2D6CYP1A2CYP2C9
SCHEMBL1623168 0.82 IGF1R (0.52) AURKASRC
SCHEMBL1621945 0.81 AURKA (0.46) AURKACYP3A4CYP2D6CYP1A2CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1876178-B1 CYANOPYRIDINE DERIVATIVE AND USE THEREOF AS MEDICINE MITSUBISHI TANABE PHARMA CORP (JP) 2015-05-27 EP claimed
US-20220233513-A1 COMPOUND USED AS RET KINASE INHIBITOR AND APPLICATION THEREOF TYK MEDICINES, INC. (CN) 2022-07-28 US disclosed
WO-2020233641-A1 COMPOUND USED AS RET KINASE INHIBITOR AND APPLICATION THEREOF 浙江同源康医药股份有限公司 (CN) 2020-11-26 WO disclosed
EP-1876178-B1 CYANOPYRIDINE DERIVATIVE AND USE THEREOF AS MEDICINE MITSUBISHI TANABE PHARMA CORP (JP) 2015-05-27 EP disclosed
US-7928126-B2 Cyanopyridine derivative and use thereof as medicine MITSUBISHI TANABE PHARMA CORPORATION (JP) 2011-04-19 US disclosed
US-7928126-B2 Cyanopyridine derivative and use thereof as medicine MITSUBISHI TANABE PHARMA CORPORATION (JP) 2011-04-19 US disclosed
US-20090292121-A1 Cyanopyridine derivative and use thereof as medicine MITSUBISHI TANABE PHARMA CORPORATION (JP) 2009-11-26 US disclosed
US-20090292121-A1 Cyanopyridine derivative and use thereof as medicine MITSUBISHI TANABE PHARMA CORPORATION (JP) 2009-11-26 US disclosed
EP-1876178-A1 CYANOPYRIDINE DERIVATIVE AND USE THEREOF AS MEDICINE Mitsubishi Tanabe Pharma Corporation (JP) 2008-01-09 EP disclosed
EP-1876178-A1 CYANOPYRIDINE DERIVATIVE AND USE THEREOF AS MEDICINE Mitsubishi Tanabe Pharma Corporation (JP) 2008-01-09 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-20090292121-A1 Cyanopyridine derivative and use thereof as medicine DPYD, IDH1, TP53 AURKA 172/4885CYP3A4 177/4885CYP2D6 154/4885
US-20220233513-A1 COMPOUND USED AS RET KINASE INHIBITOR AND APPLICATION THEREOF RET, ROR1, FGFR3 AURKA 649/4885CYP3A4 3171/4885CYP2D6 2469/4885

“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.