SCHEMBL4979810

SCHEMBL4979810

NC(=O)c1c(O)c(O)c(O)c2nc(N)[nH]c(=O)c12

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ TYMS P04818 8/20 0.41
▸ PNP P00491 4/20 0.34
▸ MITF O75030 1/20 0.34
▸ TP53 P04637 1/20 0.34
▸ THRB P10828 1/20 0.34
▸ ALOX15 P16050 1/20 0.34
▸ HBB P68871 1/20 0.34
▸ HIF1A Q16665 1/20 0.34
▸ AKR1B1 P15121 1/20 0.34
▸ KDM4E B2RXH2 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ LMNA P02545 1/20 0.32
▸ GLA P06280 1/20 0.32
▸ PMP22 Q01453 1/20 0.32
▸ HSD17B10 Q99714 1/20 0.32
▸ MAPT P10636 1/20 0.32
▸ CDK1 P06493 1/20 0.32
▸ CDK4 P11802 1/20 0.32
▸ CDK2 P24941 1/20 0.32

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
SCHEMBL4982134 0.79 LMNA (0.32) KDM4EALDH1A1LMNAPMP22MAPT
SCHEMBL4985811 0.76 ALOX15 (0.37) ALOX15ALDH1A1
SCHEMBL4980375 0.76 — —
SCHEMBL4979719 0.73 TYMS (0.37) TYMSPNPAKR1B1
SCHEMBL4982663 0.63 BCL2 (0.51) TYMSPNPKDM4EALDH1A1LMNA
SCHEMBL3180710 0.63 CDK1 (0.52) TYMSPNPMITFTP53THRB
SCHEMBL9576699 0.62 POLB (0.41) KDM4EALDH1A1LMNAPMP22HSD17B10
SCHEMBL13833421 0.61 TYMS (0.45) TYMS
SCHEMBL13833434 0.60 TYMS (0.36) TYMSPNPAKR1B1
SCHEMBL9653630 0.60 NPSR1 (0.49) TYMSPNPMITFTP53THRB

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
CN-101142195-A Substituted 2-amino-quinazolin-4-on compoundsfor use in the treatment of C N S disorders, pain, stroke, addicition and epilepsy, their preparation and use as intermediates ESTEVE LABOR DR (ES) 2008-03-12 — — CN 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
CN-101142195-A Substituted 2-amino-quinazolin-4-on compoundsfor use in the treatment of C N S disorders, pain, stroke, addicition and epilepsy, their preparation and use as intermediates ESTEVE LABOR DR (ES) 2008-03-12 — — CN 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 TYMS 3641/4885PNP 1892/4885MITF 4846/4885

“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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