SCHEMBL21453401

SCHEMBL21453401

CC(C)(C)c1cncnc1C(F)(F)F

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 4/20 0.36
CYP2D6 P10635 4/20 0.36
CYP2C19 P33261 4/20 0.36
ALOX15 P16050 2/20 0.36
HSD17B10 Q99714 2/20 0.36
ALDH1A1 P00352 1/20 0.36
MAPK1 P28482 1/20 0.36
DGAT1 O75907 1/20 0.33
CYP1A2 P05177 4/20 0.31
CYP11B1 P15538 2/20 0.31
CYP11B2 P19099 2/20 0.31
CYP17A1 P05093 1/20 0.31
CYP19A1 P11511 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
TSHR P16473 1/20 0.30

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
SCHEMBL2602384 0.85 DGAT1 (0.35) DGAT1
SCHEMBL27539877 0.81 ALDH1A1 (0.33) CYP3A4CYP2D6CYP2C19ALOX15HSD17B10
SCHEMBL18235327 0.79 DGAT1 (0.33) DGAT1
SCHEMBL24499217 0.75 DGAT1 (0.30) DGAT1
SCHEMBL21719291 0.74 DGAT1 (0.34) CYP3A4CYP2D6CYP2C19ALOX15HSD17B10
SCHEMBL10084152 0.74 CYP11B1 (0.35) CYP3A4CYP2D6CYP2C19ALOX15HSD17B10
SCHEMBL18467309 0.73
SCHEMBL21828955 0.71 TRPV4 (0.37) CYP3A4CYP2D6CYP2C19ALOX15HSD17B10
SCHEMBL18743565 0.71 DGAT1 (0.35) DGAT1
SCHEMBL10110581 0.71 DGAT1 (0.35) ALDH1A1DGAT1

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-20210393623-A1 Novel Heterocyclic Derivatives Useful as SHP2 Inhibitors JACOBIO PHARMACEUTICALS CO LTD (CN) 2021-12-23 US disclosed
US-20190312210-A1 ORGANIC ELECTROLUMINESCENCE DEVICE AND POLYCYCLIC COMPOUND FOR ORGANIC ELECTROLUMINESCENCE DEVICE SAMSUNG DISPLAY CO., LTD. (KR) 2019-10-10 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 (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-20190312210-A1 ORGANIC ELECTROLUMINESCENCE DEVICE AND POLYCYCLIC COMPOUND FOR ORGANIC ELECTROLUMINESCENCE DEVICE SLCO4C1, SLCO2A1, SLCO1A2 CYP3A4 1243/4885CYP2D6 2015/4885CYP2C19 514/4885
US-20210393623-A1 Novel Heterocyclic Derivatives Useful as SHP2 Inhibitors PTPN1, PTPN5, PTPN2 CYP3A4 4189/4885CYP2D6 2901/4885CYP2C19 3764/4885

“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.