SCHEMBL5622762

SCHEMBL5622762

C/N=C(\C)Nc1cccc(CNCc2nc(=O)c3c(C)c(OC)c(OC)cc3[nH]2)c1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 1/20 0.35
▸ RAB9A P51151 1/20 0.35
▸ NTRK1 P04629 1/20 0.35
▸ NTRK2 Q16620 1/20 0.35
▸ BRAF P15056 2/20 0.34
▸ KDM4E B2RXH2 2/20 0.33
▸ ALDH1A1 P00352 2/20 0.33
▸ BRD4 O60885 2/20 0.33
▸ LMNA P02545 1/20 0.33
▸ TAS1R3 Q7RTX0 1/20 0.32
▸ TAS1R1 Q7RTX1 1/20 0.32
▸ TAS1R2 Q8TE23 1/20 0.32
▸ POLB P06746 1/20 0.32
▸ MAPT P10636 1/20 0.32
▸ GFER P55789 1/20 0.32
▸ ABCB1 P08183 1/20 0.32
▸ AURKA O14965 1/20 0.32
▸ PKM P14618 1/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ MMP13 P45452 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
SCHEMBL5620706 0.87 RAF1 (0.38) NPC1RAB9ANTRK1NTRK2BRAF
SCHEMBL5621956 0.84 ROCK2 (0.36) KDM4EALDH1A1BRD4LMNAPOLB
SCHEMBL5621958 0.83 SMN1; SMN2 (0.40) KDM4EALDH1A1LMNAPOLBMAPT
SCHEMBL5620833 0.82 FABP4 (0.41) KDM4EALDH1A1PKMSMN1; SMN2
SCHEMBL5622777 0.82 BRD4 (0.34) BRAFKDM4EALDH1A1BRD4LMNA
SCHEMBL5622226 0.82 NOS1 (0.33) NTRK1NTRK2KDM4EALDH1A1BRD4
SCHEMBL5621277 0.81 P2RX7 (0.41) BRAFBRD4MMP13
SCHEMBL5622643 0.79 KDM4E (0.33) KDM4EALDH1A1BRD4ABCB1PKM
SCHEMBL5621751 0.78 KDM4E (0.33) KDM4EALDH1A1BRD4POLBMAPT
SCHEMBL5652991 0.77 ITGB3 (0.34) NTRK1NTRK2KDM4EALDH1A1ABCB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7244738-B2 Arylamine-substituted quinazolinone compounds useful as alpha 1A/B adrenergic receptor antagonists ROCHE PALO ALTO LLC (US) 2007-07-17 — — US claimed
US-20050038016-A1 Arylamine-substituted quinazolinone compounds useful as alpha 1A/B adrenergic receptor antagonists ROCHE PALO ALTO LLC 2005-02-17 — — US claimed
US-20070265446-A1 Arylamine-substituted quinazolinone compounds useful as alpha 1A/B adrenergic receptor antagonists CONNOLLY TERRENCE J 2007-11-15 — — US disclosed
US-7244738-B2 Arylamine-substituted quinazolinone compounds useful as alpha 1A/B adrenergic receptor antagonists ROCHE PALO ALTO LLC (US) 2007-07-17 — — US disclosed
US-20050038016-A1 Arylamine-substituted quinazolinone compounds useful as alpha 1A/B adrenergic receptor antagonists ROCHE PALO ALTO LLC 2005-02-17 — — 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-20070265446-A1 Arylamine-substituted quinazolinone compounds useful as alpha 1A/B adrenergic receptor antagonists ADRB1, ADRA1A, ADRA1B NPC1 1231/4885RAB9A 497/4885NTRK1 604/4885
US-20050038016-A1 Arylamine-substituted quinazolinone compounds useful as alpha 1A/B adrenergic receptor antagonists ADRB1, ADRA1A, ADRA1B NPC1 1231/4885RAB9A 497/4885NTRK1 604/4885

“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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