SCHEMBL4981854

SCHEMBL4981854

COc1cc2c(=O)[nH]c(N)nc2c(OC)c1OC

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDE5A O76074 1/20 0.51
▸ HSP90AA1 P07900 1/20 0.50
▸ HSP90AB1 P08238 1/20 0.50
▸ DHFR P00374 1/20 0.46
▸ CYP19A1 P11511 1/20 0.43
▸ NQO2 P16083 1/20 0.43
▸ FGFR1 P11362 2/20 0.42
▸ FGFR2 P21802 2/20 0.42
▸ PDE3B Q13370 1/20 0.42
▸ PDE3A Q14432 1/20 0.42
▸ PNP P00491 1/20 0.41
▸ QTRT1 Q9BXR0 1/20 0.41
▸ CYP1A2 P05177 1/20 0.41
▸ TYMS P04818 1/20 0.41
▸ KDM4E B2RXH2 1/20 0.41
▸ ALDH1A1 P00352 1/20 0.41
▸ HPGD P15428 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ KMT2A Q03164 1/20 0.40
▸ TNKS O95271 1/20 0.39

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
SCHEMBL4980044 0.83 PDE5A (0.45) PDE5AHSP90AA1HSP90AB1CYP19A1NQO2
SCHEMBL4987382 0.79 PDE5A (0.42) PDE5AHSP90AA1HSP90AB1CYP19A1NQO2
SCHEMBL25921904 0.78 KDM4E (0.46) PDE5ACYP19A1NQO2PDE3BPDE3A
SCHEMBL14072478 0.76 KDM4E (0.56) PDE3BPDE3AQTRT1TYMSKDM4E
SCHEMBL4986240 0.76 PDE5A (0.40) PDE5AHSP90AA1HSP90AB1CYP19A1NQO2
SCHEMBL4983757 0.76 PDE1B (0.45) PDE5AHSP90AA1HSP90AB1CYP19A1NQO2
SCHEMBL4984124 0.76 PDE3B (0.40) PDE5AHSP90AA1HSP90AB1CYP19A1NQO2
SCHEMBL4986822 0.75 KMT2A (0.50) PDE5ACYP19A1NQO2FGFR1FGFR2
SCHEMBL15857995 0.74 TNKS (0.67) FGFR1FGFR2PNPQTRT1TYMS
SCHEMBL4986725 0.73 HRH4 (0.52) KDM4EALDH1A1SMN1; SMN2KMT2ATNKS

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080108614-A1 Substituted 2-Amino-Quinazolin-4-Cn Compounds for Use in the Treatment of Cns Disorders, Pain, Stroke, Addiction and Epilepsy, their Preparation and Use as Intermediates LABORATORIOS DEL DR. ESTEVE S.A. (ES) 2008-05-08 — — US claimed
EP-1841746-A1 SUBSTITUTED 2-AMINO-QUINAZOLIN-4-ON COMPOUNDSFOR USE IN THE TREATMENT OF CNS DISORDERS, PAIN, STROKE, ADDICITION AND EPILEPSY, THEIR PREPARATION AND USE AS INTERMEDIATES LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2007-10-10 — — EP claimed
WO-2006072588-A1 SUBSTITUTED 2-AMINO-QUINAZOLIN-4-CN COMPOUNDS FOR USE IN THE TREATMENT OF CNS DISORDERS, PAIN, STROKE, ADDICTION AND EPILEPSY, THEIR PREAPARATION AND USE AS INTERMEDIATES LABORATORIOS DEL DR. ESTEVE S.A. (ES) 2006-07-13 — — WO claimed
US-20080108614-A1 Substituted 2-Amino-Quinazolin-4-Cn Compounds for Use in the Treatment of Cns Disorders, Pain, Stroke, Addiction and Epilepsy, their Preparation and Use as Intermediates LABORATORIOS DEL DR. ESTEVE S.A. (ES) 2008-05-08 — — US disclosed
US-20080108614-A1 Substituted 2-Amino-Quinazolin-4-Cn Compounds for Use in the Treatment of Cns Disorders, Pain, Stroke, Addiction and Epilepsy, their Preparation and Use as Intermediates LABORATORIOS DEL DR. ESTEVE S.A. (ES) 2008-05-08 — — US disclosed
US-20080108614-A1 Substituted 2-Amino-Quinazolin-4-Cn Compounds for Use in the Treatment of Cns Disorders, Pain, Stroke, Addiction and Epilepsy, their Preparation and Use as Intermediates LABORATORIOS DEL DR. ESTEVE S.A. (ES) 2008-05-08 — — US disclosed
EP-1841746-A1 SUBSTITUTED 2-AMINO-QUINAZOLIN-4-ON COMPOUNDSFOR USE IN THE TREATMENT OF CNS DISORDERS, PAIN, STROKE, ADDICITION AND EPILEPSY, THEIR PREPARATION AND USE AS INTERMEDIATES LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2007-10-10 — — EP disclosed
WO-2006072588-A1 SUBSTITUTED 2-AMINO-QUINAZOLIN-4-CN COMPOUNDS FOR USE IN THE TREATMENT OF CNS DISORDERS, PAIN, STROKE, ADDICTION AND EPILEPSY, THEIR PREAPARATION AND USE AS INTERMEDIATES LABORATORIOS DEL DR. ESTEVE S.A. (ES) 2006-07-13 — — WO 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-20080108614-A1 Substituted 2-Amino-Quinazolin-4-Cn Compounds for Use in the Treatment of Cns Disorders, Pain, Stroke, Addiction and Epilepsy, their Preparation and Use as Intermediates CNR2, CNR1, GRIN2C PDE5A 1306/4885HSP90AA1 3608/4885HSP90AB1 3120/4885

“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.

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