SCHEMBL6409798

SCHEMBL6409798

O=C(O)c1c(-c2ccccc2)nc2ccccn12

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.66
CYP2C9 P11712 1/20 0.66
CYP2C19 P33261 1/20 0.66
SMN1; SMN2 Q16637 1/20 0.66
ALDH1A1 P00352 3/20 0.63
NTRK1 P04629 1/20 0.61
NPC1 O15118 1/20 0.58
RAB9A P51151 1/20 0.58
KDM4E B2RXH2 1/20 0.56
PKM P14618 1/20 0.56
HPGD P15428 1/20 0.56
HSD17B10 Q99714 1/20 0.56
MAPK1 P28482 1/20 0.53
MARK4 Q96L34 3/20 0.53
PTGS1 P23219 1/20 0.51
PTGS2 P35354 1/20 0.51
KMT2A Q03164 1/20 0.51
MAPT P10636 1/20 0.51
TOP2A P11388 1/20 0.51
POLB P06746 1/20 0.51

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
SCHEMBL14705971 0.90 ALDH1A1 (0.61) CYP1A2CYP2C9CYP2C19SMN1; SMN2ALDH1A1
SCHEMBL14710304 0.90 MAPT (0.61) CYP1A2CYP2C9CYP2C19SMN1; SMN2ALDH1A1
SCHEMBL22614998 0.90 TUBB4A (0.57) CYP1A2CYP2C9CYP2C19SMN1; SMN2ALDH1A1
SCHEMBL13312213 0.87 CYP1A2 (0.67) CYP1A2CYP2C9CYP2C19SMN1; SMN2ALDH1A1
SCHEMBL16797994 0.87 CYP1A2 (0.63) CYP1A2CYP2C9CYP2C19SMN1; SMN2ALDH1A1
SCHEMBL11253412 0.86 CYP1A2 (0.65) CYP1A2CYP2C9CYP2C19SMN1; SMN2ALDH1A1
SCHEMBL17101112 0.83 ALDH1A1 (0.66) CYP1A2CYP2C9CYP2C19SMN1; SMN2ALDH1A1
SCHEMBL27465082 0.83 CYP1A2 (0.70) CYP1A2CYP2C9CYP2C19SMN1; SMN2ALDH1A1
SCHEMBL22768015 0.81 CYP1A2 (0.56) CYP1A2CYP2C9CYP2C19SMN1; SMN2ALDH1A1
SCHEMBL12294853 0.81 SMN1; SMN2 (0.60) CYP1A2CYP2C9CYP2C19SMN1; SMN2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12275744-B2 Pyrazole and imidazole derivatives, compositions and methods as orexin antagonists HAGER BIOSCIENCES, LLC (US) 2025-04-15 US disclosed
US-20240400580-A1 PYRAZOLE AND IMIDAZOLE DERIVATIVES, COMPOSITIONS AND METHODS AS OREXIN ANTAGONISTS HAGER BIOSCIENCES, LLC (US) 2024-12-05 US disclosed
US-20220315602-A1 PYRAZOLE AND IMIDAZOLE DERIVATIVES, COMPOSITIONS AND METHODS AS OREXIN ANTAGONISTS HAGER BIOSCIENCES, LLC (US) 2022-10-06 US disclosed
EP-3972587-A1 PYRAZOLE AND IMIDAZOLE DERIVATIVES, COMPOSITIONS AND METHODS AS OREXIN ANTAGONISTS Hager Biosciences, LLC (US) 2022-03-30 EP disclosed
WO-2020247447-A1 PYRAZOLE AND IMIDAZOLE DERIVATIVES, COMPOSITIONS AND METHODS AS OREXIN ANTAGONISTS HAGER BIOSCIENCES, LLC (US) 2020-12-10 WO disclosed
WO-2020247447-A1 PYRAZOLE AND IMIDAZOLE DERIVATIVES, COMPOSITIONS AND METHODS AS OREXIN ANTAGONISTS HAGER BIOSCIENCES, LLC (US) 2020-12-10 WO disclosed
US-20050020593-A1 Aryl-heteroaromatic compounds, compositions comprising them and use AVENTIS PHARMA (FR) 2005-01-27 US disclosed
EP-1237849-A1 ACTIVATORS OF SOLUBLE GUANYLATE CYCLASE UNIVERSITY COLLEGE LONDON (GB) 2002-09-11 EP disclosed
WO-2001032604-A1 ACTIVATORS OF SOLUBLE GUANYLATE CYCLASE UNIVERSITY COLLEGE LONDON (GB) 2001-05-10 WO disclosed
EP-1091958-A1 SALTS OF PAROXETINE SMITHKLINE BEECHAM PLC (GB) 2001-04-18 EP disclosed
WO-2000001692-A1 SALTS OF PAROXETINE SMITHKLINE BEECHAM PLC (GB) 2000-01-13 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 (4 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-20220315602-A1 PYRAZOLE AND IMIDAZOLE DERIVATIVES, COMPOSITIONS AND METHODS AS OREXIN ANTAGONISTS HCRTR2, HCRTR1, OXTR CYP1A2 1511/4885CYP2C9 2088/4885CYP2C19 873/4885
US-12275744-B2 Pyrazole and imidazole derivatives, compositions and methods as orexin antagonists HCRTR2, HCRTR1, OXTR CYP1A2 1476/4885CYP2C9 2137/4885CYP2C19 882/4885
US-20240400580-A1 PYRAZOLE AND IMIDAZOLE DERIVATIVES, COMPOSITIONS AND METHODS AS OREXIN ANTAGONISTS HCRTR2, HCRTR1, OXTR CYP1A2 1511/4885CYP2C9 2088/4885CYP2C19 873/4885
US-20050020593-A1 Aryl-heteroaromatic compounds, compositions comprising them and use TUBB3, TUBB, TUBB1 CYP1A2 1664/4885CYP2C9 2724/4885CYP2C19 3163/4885

“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.