SCHEMBL12523976

SCHEMBL12523976

COCOCc1ccc(C)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AGXT P21549 2/20 0.52
KCNH2 Q12809 2/20 0.48
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
CA9 Q16790 1/20 0.44
MAOB P27338 3/20 0.43
IDO1 P14902 1/20 0.41
NPC1 O15118 3/20 0.39
RAB9A P51151 3/20 0.39
CYP1A2 P05177 1/20 0.38
CYP2A6 P11509 1/20 0.38
TAAR1 Q96RJ0 1/20 0.38
ACHE P22303 2/20 0.37
TSHR P16473 1/20 0.37
PARP10 Q53GL7 1/20 0.37
HCRTR2 O43614 1/20 0.37
TDP1 Q9NUW8 1/20 0.36
CASP3 P42574 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
SENP8 Q96LD8 1/20 0.36

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
SCHEMBL21725204 0.96 AGXT (0.48) AGXTKCNH2CA1CA2CA9
SCHEMBL12783816 0.94 AGXT (0.47) AGXTKCNH2CA1CA2CA9
SCHEMBL9861794 0.88 AGXT (0.58) AGXTKCNH2CA1CA2CA9
SCHEMBL3161372 0.83 AGXT (0.64) AGXTKCNH2CA1CA2CA9
SCHEMBL9617939 0.83 AGXT (0.64) AGXTKCNH2CA1CA2CA9
SCHEMBL15452321 0.82 IDO1 (0.48) CA2IDO1TAAR1
SCHEMBL15096867 0.82 ALDH1A1 (0.39) AGXTKCNH2CA1CA2IDO1
SCHEMBL12378 0.80 AGXT (0.61) AGXTKCNH2CA1CA2CA9
Lithium SCHEMBL585057 0.80 AGXT (0.61) AGXTKCNH2CA1CA2CA9
Potassium SCHEMBL586332 0.80 AGXT (0.61) AGXTKCNH2CA1CA2CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10202372-B2 Trisubstituted pyrido[2,3-D]pyrimidines, methods for preparing same and therapeutic uses thereof CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (C.N.R.S) (FR) 2019-02-12 US disclosed
EP-2885297-B1 TRISUBSTITUTED PYRIDO[3,2-D]PYRIMIDINES, THEIR PREPARATION PROCESS AND THEIR THERAPEUTICAL USES CENTRE NAT DE LA RECH SCIENT (C N R S ) (FR) 2017-10-11 EP disclosed
US-20150203489-A1 TRISUBSTITUTED PYRIDO[2,3-D]PYRIMIDINES, METHODS FOR PREPARING SAME AND THERAPEUTIC USES THEREOF UNIVERSITE D'ORLEANS (FR) 2015-07-23 US disclosed
US-20130184462-A1 METHOD FOR PREDICTING AND MODELING ANTI-PSYCHOTIC ACTIVITY USING VIRTUAL SCREENING MODEL COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2013-07-18 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-20150203489-A1 TRISUBSTITUTED PYRIDO[2,3-D]PYRIMIDINES, METHODS FOR PREPARING SAME AND THERAPEUTIC USES THEREOF DPYD, TYMP, RRM2B AGXT 3299/4885KCNH2 2405/4885CA1 3440/4885
US-10202372-B2 Trisubstituted pyrido[2,3-D]pyrimidines, methods for preparing same and therapeutic uses thereof DPYD, TYMP, RRM2B AGXT 3299/4885KCNH2 2405/4885CA1 3440/4885

“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.