SCHEMBL4099549

SCHEMBL4099549

O=c1[nH]c(Cc2ccc(C(F)(F)F)cc2)nc2ccccc12

nearest known ligand 0.75

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.74
MAOB P27338 1/20 0.64
TNKS2 Q9H2K2 2/20 0.61
TNKS O95271 1/20 0.61
WNT3A P56704 1/20 0.61
KDM4E B2RXH2 3/20 0.56
SMN1; SMN2 Q16637 2/20 0.56
PKM P14618 1/20 0.55
MAPT P10636 2/20 0.54
LMNA P02545 1/20 0.54
PARP1 P09874 3/20 0.52
PDE10A Q9Y233 2/20 0.51
RAB9A P51151 2/20 0.50
PARP2 Q9UGN5 1/20 0.50
NPC1 O15118 1/20 0.49
GAA P10253 1/20 0.49
POLB P06746 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.48

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
SCHEMBL9178009 0.85 KMT2A (1.00) KMT2AMAOBTNKS2KDM4ESMN1; SMN2
SCHEMBL406051 0.82 PDE5A (0.63) KMT2AMAOBKDM4ESMN1; SMN2MAPT
SCHEMBL31716910 0.82 KMT2A (0.80) KMT2AMAOBTNKS2TNKSKDM4E
SCHEMBL28957724 0.82 KMT2A (0.80) KMT2ATNKS2TNKSKDM4ESMN1; SMN2
SCHEMBL7978349 0.78 KMT2A (0.74) KMT2ATNKS2KDM4ESMN1; SMN2PKM
SCHEMBL20564672 0.78 KMT2A (0.73) KMT2AMAOBTNKS2TNKSKDM4E
SCHEMBL31716237 0.77 KMT2A (0.72) KMT2ATNKS2KDM4ESMN1; SMN2MAPT
SCHEMBL28761526 0.77 TNKS2 (0.64) KMT2ATNKS2TNKSWNT3AKDM4E
SCHEMBL11284110 0.76 TNKS (1.00) TNKS2TNKSWNT3AKDM4EMAPT
SCHEMBL28206567 0.75 TUBB4A (0.58) KMT2AMAOBTNKS2TNKSWNT3A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090209536-A1 AMINOQUINAZOLINE CANNABINOID RECEPTOR MODULATORS FOR TREATMENT OF DISEASE KALYPSYS, INC. (US) 2009-08-20 US disclosed
WO-2008157500-A1 AMINOQUINAZOLINE CANNABINOID RECEPTOR MODULATORS FOR TREATMENT OF DISEASE KALYPSYS, INC. (US) 2008-12-24 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-20090209536-A1 AMINOQUINAZOLINE CANNABINOID RECEPTOR MODULATORS FOR TREATMENT OF DISEASE CNR2, CNR1, GPR18 KMT2A 1424/4885MAOB 4179/4885TNKS2 1991/4885

“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.