SCHEMBL16626017

SCHEMBL16626017

Cc1c[nH]c2ncc(C(F)(F)F)cc12

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MET P08581 1/20 0.44
AGBL2 Q5U5Z8 1/20 0.41
BTK Q06187 7/20 0.40
ITK Q08881 7/20 0.40
BRD4 O60885 2/20 0.39
CLK1 P49759 2/20 0.37
DYRK1A Q13627 2/20 0.37
CCNT1 O60563 2/20 0.37
CCNA2 P20248 2/20 0.37
CDK2 P24941 2/20 0.37
CDK9 P50750 2/20 0.37
PRMT5 O14744 1/20 0.37
WDR77 Q9BQA1 1/20 0.37
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C19 P33261 1/20 0.35

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
SCHEMBL18369564 0.84 MET (0.45) METBTKITKCLK1DYRK1A
SCHEMBL25111074 0.80 POLB (0.37) BRD4CLK1DYRK1ACCNT1CCNA2
SCHEMBL14678114 0.79 AXL (0.43) ITKBRD4CLK1DYRK1ACCNT1
SCHEMBL1885317 0.79 BRD4 (0.43) BRD4CLK1DYRK1ACCNT1CCNA2
SCHEMBL19841349 0.79 CYP3A4 (0.44) AGBL2BRD4CLK1DYRK1ACCNT1
SCHEMBL20371786 0.79 PRMT5 (0.40) BRD4CLK1DYRK1ACCNT1CCNA2
SCHEMBL14041214 0.77 MET (0.43) METBTKITKPRMT5WDR77
SCHEMBL15245298 0.77 METAP2 (0.55) METCYP1A2
SCHEMBL7921128 0.76 MET (0.46) METBTKITKPRMT5WDR77
SCHEMBL1714153 0.76 KMT2A (0.47) BRD4CLK1DYRK1ACCNT1CCNA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023192901-A9 QUINOLINE DERIVATIVES AS MODULATORS OF MAS-RELATED G-PROTEIN RECEPTOR X2 AND RELATED PRODUCTS ESCIENT PHARMACEUTICALS, INC. (US) 2023-12-14 WO disclosed
WO-2023192901-A1 QUINOLINE DERIVATIVES AS MODULATORS OF MAS-RELATED G-PROTEIN RECEPTOR X2 AND RELATED PRODUCTS ESCIENT PHARMACEUTICALS, INC. (US) 2023-10-05 WO disclosed
EP-3052501-B1 BICYCLIC ALKYNE DERIVATIVES AND USES THEREOF AGENCY SCIENCE TECH & RES (SG) 2022-06-22 EP disclosed
WO-2017133667-A1 PYRIMIDINE AND PYRIDINE DERIVATIVES AND USE IN TREATMENT, AMELIORATION OR PREVENTION OF INFLUENZA THEREOF SAVIRA PHARMACEUTICALS GMBH (AT) 2017-08-10 WO disclosed
US-20160229860-A1 BICYCLIC ALKYNE DERIVATIVES AND USES THEREOF AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2016-08-11 US disclosed
WO-2015050505-A1 BICYCLIC ALKYNE DERIVATIVES AND USES THEREOF AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2015-04-09 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 (1 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-20160229860-A1 BICYCLIC ALKYNE DERIVATIVES AND USES THEREOF MAPKAPK2, CAMKK2, MKNK2 MET 1482/4885AGBL2 2488/4885BTK 2567/4885

“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.