SCHEMBL13622770

SCHEMBL13622770

Cc1ccc2c(N)cc(O)nc2n1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 6/20 0.57
ADORA2A P29274 4/20 0.57
KMT2A Q03164 3/20 0.44
GAA P10253 2/20 0.44
NR4A2 P43354 2/20 0.39
MAPT P10636 1/20 0.39
NCF1 P14598 1/20 0.38
OPRK1 P41145 1/20 0.38
KDM4E B2RXH2 2/20 0.35
LMNA P02545 2/20 0.35
PKM P14618 1/20 0.35
POLB P06746 1/20 0.35
CASP6 P55212 1/20 0.35
NPC1 O15118 1/20 0.35
MITF O75030 1/20 0.35
TP53 P04637 1/20 0.35
TSHR P16473 1/20 0.35
AGTR1 P30556 1/20 0.35
HTT P42858 1/20 0.35
RAB9A P51151 1/20 0.35

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
SCHEMBL26457583 0.85 ADORA2A (0.49) ADORA1ADORA2AKMT2AGAANR4A2
SCHEMBL13622758 0.84 ADORA1 (0.64) ADORA1ADORA2AKMT2AGAANR4A2
SCHEMBL11568565 0.81 KMT2A (0.44) ADORA1ADORA2AKMT2AGAAMAPT
SCHEMBL13622765 0.78 ADORA1 (0.57) ADORA1ADORA2AKMT2AGAANR4A2
SCHEMBL9820399 0.72 KMT2A (0.47) ADORA1ADORA2AKMT2AGAAMAPT
SCHEMBL5374388 0.70 KDM4E (0.54) ADORA1ADORA2AKMT2AGAAMAPT
SCHEMBL2271898 0.70 MAPT (0.54) ADORA1ADORA2AKMT2AGAANR4A2
SCHEMBL6392289 0.69 ADORA2A (0.47) ADORA1ADORA2AKMT2AGAANR4A2
SCHEMBL28077319 0.69 KMT2A (0.58) ADORA1ADORA2AKMT2AGAAMAPT
SCHEMBL17407740 0.68 KMT2A (0.43) KMT2AGAAMAPTOPRK1KDM4E

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-20090286767-A1 SUBSTITUTED QUINOLIN-4-YLAMINE ANALOGUES NEUROGEN CORPORATION (US) 2009-11-19 US disclosed
US-7488740-B2 Substituted quinolin-4-ylamine analogues NEUROGEN CORPORATION (US) 2009-02-10 US disclosed
US-20080085901-A1 Heteroaryl Substituted Quinolin-4-Ylamine Analogues NEUROGEN CORPORATION (US) 2008-04-10 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-20090286767-A1 SUBSTITUTED QUINOLIN-4-YLAMINE ANALOGUES PIGS, HRH4, GPR52 ADORA1 220/4885ADORA2A 149/4885KMT2A 1498/4885
US-20080085901-A1 Heteroaryl Substituted Quinolin-4-Ylamine Analogues PIGS, GPR52, GPR174 ADORA1 191/4885ADORA2A 203/4885KMT2A 2079/4885

“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.