SCHEMBL10507284

SCHEMBL10507284

NCC(CN)c1ccc(Cl)cc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABBR2 O75899 6/20 0.64
GABBR1 Q9UBS5 6/20 0.64
LMNA P02545 4/20 0.64
TSHR P16473 3/20 0.64
CYP2C9 P11712 2/20 0.64
CYP1A2 P05177 2/20 0.64
THRB P10828 2/20 0.64
CYP3A4 P08684 1/20 0.64
ADORA3 P0DMS8 1/20 0.64
NFKB1 P19838 1/20 0.64
DRD3 P35462 1/20 0.64
BLM P54132 1/20 0.64
CYP2D6 P10635 1/20 0.64
CYP2C19 P33261 1/20 0.64
MEN1 O00255 1/20 0.64
KMT2A Q03164 1/20 0.64
MAPT P10636 1/20 0.62
PMP22 Q01453 1/20 0.62
SMN1; SMN2 Q16637 1/20 0.62
NPSR1 Q6W5P4 1/20 0.62

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
Hydrochloric Acid SCHEMBL10681987 0.97 GABBR2 (0.62) GABBR2GABBR1LMNATSHRCYP2C9
SCHEMBL6278627 0.86 GABBR2 (0.56) GABBR2GABBR1LMNATSHRCYP2C9
SCHEMBL19803214 0.86 GABBR2 (0.56) GABBR2GABBR1LMNATSHRCYP2C9
SCHEMBL20694143 0.86 GABBR2 (0.56) GABBR2GABBR1LMNATSHRCYP2C9
SCHEMBL9779274 0.86 GABBR2 (0.61) GABBR2GABBR1LMNATSHRCYP2C9
SCHEMBL19803301 0.86 GABBR2 (0.56) GABBR2GABBR1LMNATSHRCYP2C9
SCHEMBL7396004 0.86 GABBR2 (0.61) GABBR2GABBR1LMNATSHRCYP2C9
SCHEMBL20693672 0.86 GABBR2 (0.56) GABBR2GABBR1LMNATSHRCYP2C9
SCHEMBL24878661 0.83 GABBR2 (0.53) GABBR2GABBR1LMNATSHRCYP2C9
SCHEMBL21610467 0.83 GABBR2 (0.53) GABBR2GABBR1LMNATSHRCYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9365575-B2 Kinase inhibitors ALLERGAN, INC. (US) 2016-06-14 US disclosed
US-9365575-B2 Kinase inhibitors ALLERGAN, INC. (US) 2016-06-14 US disclosed
US-9365575-B2 Kinase inhibitors ALLERGAN, INC. (US) 2016-06-14 US disclosed
EP-2852594-B1 PYRIMIDINO[1,2-C]QUINAZOLINONE DERIVATIVES AS TYROSINE KINASES INHIBITORS ALLERGAN INC (US) 2016-05-11 EP disclosed
EP-2852594-B1 PYRIMIDINO[1,2-C]QUINAZOLINONE DERIVATIVES AS TYROSINE KINASES INHIBITORS ALLERGAN INC (US) 2016-05-11 EP disclosed
EP-2852594-A1 PYRIMIDINO [1, 2 -C]QUINAZOLINONE DERIVATIVES AS TYROSINE KINASES INHIBITORS ALLERGAN, INC. (US) 2015-04-01 EP disclosed
WO-2013177053-A1 PYRIMIDINO [1, 2 -C] QUINAZOLINONE DERIVATIVES AS TYROSINE KINASES INHIBITORS ALLERGAN, INC. (US) 2013-11-28 WO disclosed
US-20130310394-A1 KINASE INHIBITORS ALLERGAN, INC. (US) 2013-11-21 US disclosed
US-20130310394-A1 KINASE INHIBITORS ALLERGAN, INC. (US) 2013-11-21 US disclosed
EP-0226511-B1 5-PHENYL-1,4,5,6-TETRAHYDROPYRIMIDINE DERIVATIVES, PREPARATION PROCESS AND MEDICINAL USE LABORATOIRE L. LAFON Société anonyme dite: (FR) 1989-08-02 EP disclosed
US-4774248-A Methods of treating depression and depressive states using 5-phenyl-1,4,5,6-tetrahydropyrimidine derivatives SOCIETE ANONYME DITE: LABORATOIRE L. LAFON (FR) 1988-09-27 US disclosed
EP-0226511-A1 5-Phenyl-1,4,5,6-tetrahydropyrimidine derivatives, preparation process and medicinal use LABORATOIRE L. LAFON Société anonyme dite: (FR) 1987-06-24 EP disclosed
EP-0024776-B1 4-PHENYL AND 5-PHENYL-1,4,5,6-TETRAHYDROPYRIMIDINE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING SAID DERIVATIVES, AND PROCESS FOR PREPARING SAID DERIVATIVES SYNTEX (U.S.A.) INC. (US) 1984-12-27 EP disclosed
US-4322421-A 4-Phenyl-and 5-phenyl-1,4,5,6-tetrahydro-pyrimidine derivatives SYNTEX (U.S.A.) INC. (US) 1982-03-30 US disclosed
US-4261995-A DISORDERS OF CENTRAL NERVOUS SYSTEM AND CARDIOVASCULAR SYSTEM; HYPOTENSIVE SYNTEX (U.S.A.) INC. (US) 1981-04-14 US disclosed
EP-0024776-A1 4-Phenyl and 5-phenyl-1,4,5,6-tetrahydropyrimidine derivatives, pharmaceutical compositions containing said derivatives, and process for preparing said derivatives SYNTEX (U.S.A.) INC. (US) 1981-03-11 EP 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-20130310394-A1 KINASE INHIBITORS CSNK1A1, MAPK1, MAP3K1 GABBR2 2377/4885GABBR1 2348/4885LMNA 3431/4885

“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.