SCHEMBL6306258

SCHEMBL6306258

OC(Cn1ccnc1)c1ccccn1

nearest known ligand 0.58

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 1/20 0.54
HMOX1 P09601 1/20 0.50
AGER Q15109 1/20 0.50
ADRA2C P18825 1/20 0.49
POLB P06746 1/20 0.48
CYP51A1 Q16850 1/20 0.47

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
SCHEMBL27956576 0.81 MEN1 (0.45) AGERPOLB
SCHEMBL27956577 0.79 AGER (0.42) CYP19A1AGERPOLB
SCHEMBL6173273 0.79 CYP19A1 (0.71) CYP19A1HMOX1CYP51A1
SCHEMBL6299346 0.79 CYP19A1 (0.71) CYP19A1HMOX1CYP51A1
SCHEMBL8539081 0.78 ADRA2C (0.59) CYP19A1HMOX1ADRA2C
SCHEMBL29669977 0.74 ADRA2C (0.70) CYP19A1HMOX1AGERADRA2C
SCHEMBL11267735 0.74 ADRA2C (0.55) CYP19A1HMOX1AGERADRA2CCYP51A1
SCHEMBL11270111 0.74 HMOX1 (0.76) CYP19A1HMOX1CYP51A1
SCHEMBL11277181 0.74 ADRA2C (0.70) CYP19A1HMOX1AGERADRA2C
SCHEMBL10932073 0.73 CYP19A1 (0.73) CYP19A1HMOX1ADRA2CCYP51A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6943183-B2 5-substituted tetralones as inhibitors of ras farnesyl transferase PFIZER INC (US) 2005-09-13 US disclosed
US-20040044057-A1 5- substituted tetralones as inhibitors of ras farnesyl trransferase WARNER-LAMBERT COMPANY 2004-03-04 US disclosed
US-4518607-A FUNGICIDES, BACXTERICIDES AND ANTIPROTOZOA AGENTS SYNTEX (U.S.A.) INC. (US) 1985-05-21 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-20040044057-A1 5- substituted tetralones as inhibitors of ras farnesyl trransferase PTAR1, FNTA, GGPS1 CYP19A1 962/4885HMOX1 2641/4885AGER 1403/4885

“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.