SCHEMBL2997377

SCHEMBL2997377

CC1=C(C(=O)NNC(=O)Cc2ccccc2)C(c2cccc3ccccc23)n2nnnc2N1

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.52
ALDH1A1 P00352 10/20 0.52
THRB P10828 1/20 0.51
SMN1; SMN2 Q16637 3/20 0.50
TP53 P04637 2/20 0.50
GAA P10253 1/20 0.48
LMNA P02545 3/20 0.48
POLB P06746 4/20 0.47
PKM P14618 1/20 0.47
NPSR1 Q6W5P4 2/20 0.47
HTT P42858 1/20 0.45
KMT2A Q03164 1/20 0.45
USP2 O75604 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44

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
SCHEMBL3243075 0.88 MAPT (0.56) MAPTALDH1A1THRBSMN1; SMN2TP53
SCHEMBL3265083 0.87 KDM4E (0.56) MAPTALDH1A1THRBSMN1; SMN2TP53
SCHEMBL2995933 0.84 MAPT (0.53) MAPTALDH1A1THRBSMN1; SMN2TP53
SCHEMBL3265207 0.82 ALDH1A1 (0.67) MAPTALDH1A1THRBSMN1; SMN2LMNA
SCHEMBL3115427 0.82 ALDH1A1 (0.57) MAPTALDH1A1THRBSMN1; SMN2TP53
SCHEMBL3248337 0.81 ALDH1A1 (0.75) MAPTALDH1A1THRBSMN1; SMN2TP53
SCHEMBL2998468 0.80 MAPT (0.54) MAPTALDH1A1THRBSMN1; SMN2TP53
SCHEMBL3005598 0.80 MAPT (0.54) MAPTALDH1A1THRBSMN1; SMN2TP53
SCHEMBL3005531 0.78 ALDH1A1 (0.55) MAPTALDH1A1THRBSMN1; SMN2LMNA
SCHEMBL4260596 0.78 ALDH1A1 (0.59) MAPTALDH1A1THRBSMN1; SMN2LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9045428-B2 Substituted heterocyclic compounds GILEAD SCIENCES, INC. (US) 2015-06-02 US disclosed
US-8716319-B2 Substituted heterocyclic compounds GILEAD SCIENCES, INC. (US) 2014-05-06 US disclosed
US-20130324525-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS GILEAD SCIENCES, INC. (US) 2013-12-05 US disclosed
US-20100197684-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS GILEAD PALO ALTO, INC. (US) 2010-08-05 US disclosed
WO-2010002483-A1 OPTIONALLY CONDENSED DIHYDRO PYRIDINE, DIHYDROPYRIMIDINE AND DIHYDRO PYRANE DERIVATIVES ACTING AS LATE SODIUM CHANNEL BLOCKERS CV THERAPEUTICS, INC. (US) 2010-01-07 WO disclosed
US-20090181986-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS CV THERAPEUTICS, INC. 2009-07-16 US disclosed
US-20090012103-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS GILEAD SCIENCES, INC. 2009-01-08 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 (4 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-20100197684-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS NQO1, GPR119, GLP1R MAPT 4314/4885ALDH1A1 274/4885THRB 1655/4885
US-20130324525-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS NQO1, GPR119, GLP1R MAPT 4314/4885ALDH1A1 274/4885THRB 1655/4885
US-20090181986-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS NQO1, GPR119, GLP1R MAPT 4314/4885ALDH1A1 274/4885THRB 1655/4885
US-20090012103-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS NQO1, GPR119, GLP1R MAPT 4314/4885ALDH1A1 274/4885THRB 1655/4885

“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.