SCHEMBL6903991

SCHEMBL6903991

Nc1cc2ccc3nccccc3c2n1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.53
CYP3A4 P08684 1/20 0.50
MAPT P10636 3/20 0.45
KDM4E B2RXH2 2/20 0.45
HSP90AA1 P07900 2/20 0.44
HSP90AB1 P08238 2/20 0.44
HTT P42858 2/20 0.44
MEN1 O00255 1/20 0.44
BLM P54132 1/20 0.44
KMT2A Q03164 1/20 0.44
HIF1A Q16665 1/20 0.44
NCF1 P14598 3/20 0.43
DYRK1A Q13627 1/20 0.42
NOS3 P29474 1/20 0.41
NOS1 P29475 1/20 0.41
NOS2 P35228 1/20 0.41
PI4KA P42356 1/20 0.41
PI4K2B Q8TCG2 1/20 0.41
PI4K2A Q9BTU6 1/20 0.41
PI4KB Q9UBF8 1/20 0.41

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
SCHEMBL310511 0.82 LMNA (0.67) LMNACYP3A4MAPTKDM4EHSP90AA1
Dipyridyl SCHEMBL29137810 0.81 LMNA (0.56) LMNACYP3A4MAPTKDM4EHSP90AA1
SCHEMBL28007256 0.81 LMNA (0.65) LMNACYP3A4MAPTKDM4EHSP90AA1
SCHEMBL28126432 0.81 LMNA (0.65) LMNACYP3A4MAPTKDM4EHSP90AA1
SCHEMBL6481012 0.79 LMNA (0.53) LMNACYP3A4MAPTKDM4EHSP90AA1
SCHEMBL10923942 0.79 LMNA (0.53) LMNACYP3A4MAPTKDM4EHSP90AA1
SCHEMBL7364735 0.78 LMNA (0.40) LMNACYP3A4MAPTKDM4EHSP90AA1
SCHEMBL28941839 0.78 LMNA (0.56) LMNACYP3A4MAPTKDM4EHSP90AA1
SCHEMBL7610124 0.75 LMNA (0.61) LMNACYP3A4MAPTKDM4EHSP90AA1
SCHEMBL10923588 0.74 LMNA (0.78) LMNACYP3A4MAPTKDM4EHSP90AA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6828314-B2 Modulation of the activity of serotonin receptors (5-HT) to treat diseases such as anxiety, depression or obesity PFIZER 2004-12-07 US disclosed
US-20030225058-A1 Substituted azepino[4,5b]indoline derivatives PHARMACIA & UPJOHN COMPANY 2003-12-04 US disclosed
US-6586421-B2 For therapy of central nervous system, including diseases, disorders, and conditions related to, such as anxiety, depression, hypertension, migraine, obesity, compulsive disorders, schizophrenia, autism, neurodegenerative disorders PHARMACIA & UPJOHN COMPANY 2003-07-01 US disclosed
EP-1319005-A2 SUBSTITUTED AZEPINO[4,5-B]INDOLINE DERIVATIVES PHARMACIA & UPJOHN COMPANY (US) 2003-06-18 EP disclosed
US-20020077318-A1 Substituted azepino[4,5b] indoline derivatives PHARMACIA & UPJOHN COMPANY 2002-06-20 US disclosed
WO-2002024700-A2 SUBSTITUTED AZEPINO[4,5b]INDOLINE DERIVATIVES PHARMACIA & UPJOHN COMPANY (US) 2002-03-28 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 (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-20030225058-A1 Substituted azepino[4,5b]indoline derivatives HTR5A, HTR1A, HTR4 LMNA 4136/4885CYP3A4 268/4885MAPT 2537/4885
US-20020077318-A1 Substituted azepino[4,5b] indoline derivatives HTR5A, HTR1A, HTR4 LMNA 4136/4885CYP3A4 268/4885MAPT 2537/4885

“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.