SCHEMBL19630893

SCHEMBL19630893

CCCC(C)c1nc(C)no1

nearest known ligand 0.31

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
HSD17B10 Q99714 1/20 0.31

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
SCHEMBL10192259 1.00 MAPT (0.31) MAPTCYP2C9CYP2C19SMN1; SMN2HSD17B10
SCHEMBL26242572 0.85 GPR84 (0.36)
SCHEMBL469207 0.83 MAPT (0.32) MAPTCYP2C9CYP2C19SMN1; SMN2HSD17B10
SCHEMBL469194 0.83 MAPT (0.32) MAPTCYP2C9CYP2C19SMN1; SMN2HSD17B10
SCHEMBL10192262 0.83 MAPT (0.32) MAPTCYP2C9CYP2C19SMN1; SMN2HSD17B10
SCHEMBL16510115 0.82 MAPT (0.33) MAPTCYP2C9CYP2C19SMN1; SMN2HSD17B10
SCHEMBL26008095 0.80 GPR119 (0.33)
SCHEMBL19573452 0.78 IDH1 (0.32)
SCHEMBL13186805 0.78 MAPT (0.32) MAPTCYP2C9CYP2C19SMN1; SMN2HSD17B10
SCHEMBL13844342 0.78 MAPT (0.32) MAPTCYP2C9CYP2C19SMN1; SMN2HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170334898-A9 NOVEL 4-METHYL-DIHYDROPYRIMIDINES FOR THE TREATMENT AND PROPHYLAXIS OF HEPATITIS B VIRUS INFECTION HOFFMANN-LA ROCHE INC. (US) 2017-11-23 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 (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-20170334898-A9 NOVEL 4-METHYL-DIHYDROPYRIMIDINES FOR THE TREATMENT AND PROPHYLAXIS OF HEPATITIS B VIRUS INFECTION TPMT, DPYD, HAVCR2 MAPT 3835/4885CYP2C9 291/4885CYP2C19 206/4885

“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.