SCHEMBL6785181

SCHEMBL6785181

Cn1ncc2nc3cccc(-c4ccc([N+](=O)[O-])cc4)c3c(Cl)c21

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.43
RAB9A P51151 4/20 0.41
ALDH1A1 P00352 2/20 0.41
RXFP1 Q9HBX9 2/20 0.41
PKM P14618 1/20 0.41
NPC1 O15118 2/20 0.38
MEN1 O00255 4/20 0.38
KMT2A Q03164 4/20 0.38
PSD A5PKW4 1/20 0.37
AR P10275 1/20 0.36
MAPT P10636 2/20 0.36
SMN1; SMN2 Q16637 3/20 0.35
MMP2 P08253 3/20 0.35
MMP9 P14780 3/20 0.35
MMP8 P22894 3/20 0.35
MMP13 P45452 2/20 0.35
APP P05067 1/20 0.35
CYP1A2 P05177 1/20 0.34
HTT P42858 3/20 0.34
MBD2 Q9UBB5 1/20 0.34

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
SCHEMBL6781994 0.74 KMT2A (0.45) ATMALDH1A1NPC1MEN1KMT2A
SCHEMBL6785029 0.72 ELANE (0.43) ALDH1A1PKMMAPTSMN1; SMN2CYP1A2
SCHEMBL6786202 0.70 TUBB4A (0.36) ALDH1A1MEN1KMT2AMAPTCYP1A2
SCHEMBL25339294 0.66 MAPT (0.51) ATMRAB9AALDH1A1RXFP1PKM
SCHEMBL2818615 0.62 MEN1 (0.50) RAB9AALDH1A1RXFP1PKMMEN1
SCHEMBL7606457 0.62 PDE7A (0.44) RAB9AALDH1A1NPC1MEN1KMT2A
SCHEMBL5003972 0.61 CYP2A6 (0.54) ALDH1A1KMT2AARMAPTSMN1; SMN2
SCHEMBL15081300 0.61 ALDH1A1 (0.46) ATMALDH1A1MEN1KMT2AMAPT
SCHEMBL16870749 0.60 ATM (0.61) ATMALDH1A1RXFP1PKMMEN1
SCHEMBL28240316 0.60 ALDH1A1 (0.58) ATMALDH1A1MEN1KMT2AMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6686373-B2 ANALGESICS; ANTIINFLAMMATORY AGENT WARNER-LAMBERT COMPANY LLC 2004-02-03 US disclosed
US-20030130277-A1 Pyrazoloquinolinone derivatives as protein kinase C inhibitors KAWAMURA KIYOSHI (JP) 2003-07-10 US disclosed
EP-1310498-A2 Pyrazoloquinolinone derivatives as protein kinase C inhibitors PFIZER INC. (US) 2003-05-14 EP 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-20030130277-A1 Pyrazoloquinolinone derivatives as protein kinase C inhibitors PRKCB, PRKCA, PRKCG ATM 591/4885RAB9A 1982/4885ALDH1A1 3069/4885

“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.