SCHEMBL29889652

SCHEMBL29889652

CNc1cc(-c2cccnc2F)ncn1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 12/20 0.60
CYP2D6 P10635 8/20 0.60
CYP2C19 P33261 8/20 0.60
CLK4 Q9HAZ1 8/20 0.60
HSD17B10 Q99714 5/20 0.60
ALOX15 P16050 3/20 0.60
CYP3A4 P08684 5/20 0.58
ALDH1A1 P00352 5/20 0.56
MAPK1 P28482 3/20 0.45
HPGD P15428 1/20 0.45
LCK P06239 4/20 0.44
BRAF P15056 4/20 0.44
TEK Q02763 4/20 0.44
KDR P35968 3/20 0.44
USP2 O75604 2/20 0.43
LMNA P02545 2/20 0.43
RAF1 P04049 1/20 0.42
TSHR P16473 4/20 0.42
MAPT P10636 1/20 0.41
APEX1 P27695 1/20 0.41

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
SCHEMBL2261930 1.00 CYP1A2 (0.60) CYP1A2CYP2D6CYP2C19CLK4HSD17B10
SCHEMBL1265630 0.81 CYP1A2 (0.60) CYP1A2CYP2D6CYP2C19CLK4HSD17B10
SCHEMBL29890921 0.79 MAPT (0.43) CYP1A2CYP2D6CYP2C19CLK4HSD17B10
SCHEMBL14970106 0.79 MAPT (0.43) CYP1A2CYP2D6CYP2C19CLK4HSD17B10
SCHEMBL558697 0.76 ASIC3 (0.49) CYP1A2CYP2D6CYP2C19HSD17B10CYP3A4
SCHEMBL1445127 0.76 MIF (0.49) CYP1A2CYP2D6CYP2C19CLK4HSD17B10
SCHEMBL29890894 0.75 MAPT (0.41) CYP1A2CYP2D6CYP2C19CLK4HSD17B10
SCHEMBL28507574 0.75 MAPT (0.41) CYP1A2CYP2D6CYP2C19HSD17B10CYP3A4
SCHEMBL10272461 0.75 CHRNA7 (0.43) CYP1A2CYP2D6CYP2C19CLK4HSD17B10
SCHEMBL10220817 0.75 MAPT (0.41) CYP1A2CYP2D6CYP2C19CLK4HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240262803-A1 COMPOUNDS, COMPOSITIONS AND METHODS OF TREATING DISORDERS Chungdu Anticancer Bioscience Ltd (CN) 2024-08-08 US disclosed
WO-2022199654-A1 HETEROARYL-HETEROARYL-O-PHENYL COMPOUNDS, COMPOSITIONS AND METHODS OF TREATING CANCER DISORDERS Chengdu Anticancer Bioscience, Ltd. (CN) 2022-09-29 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-20240262803-A1 COMPOUNDS, COMPOSITIONS AND METHODS OF TREATING DISORDERS CYP27A1, PNLIP, GOT2 CYP1A2 655/4885CYP2D6 705/4885CYP2C19 1449/4885

“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.