SCHEMBL13622765

SCHEMBL13622765

Cc1ccc2c(N)cc(Cl)nc2n1

nearest known ligand 0.57

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 6/20 0.57
ADORA2A P29274 4/20 0.57
NR4A2 P43354 2/20 0.46
KMT2A Q03164 2/20 0.44
GAA P10253 1/20 0.44
MAPT P10636 1/20 0.39
NCF1 P14598 1/20 0.38
KDM4E B2RXH2 1/20 0.35
LMNA P02545 1/20 0.35
POLB P06746 1/20 0.35
CASP6 P55212 1/20 0.35
CYP1A2 P05177 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
SCHEMBL13622758 0.84 ADORA1 (0.64) ADORA1ADORA2ANR4A2KMT2AGAA
SCHEMBL30160653 0.81 ADORA1 (0.60) ADORA1ADORA2AKMT2AGAAMAPT
SCHEMBL13622766 0.81 ADORA1 (0.60) ADORA1ADORA2AKMT2AGAAMAPT
SCHEMBL13622770 0.78 ADORA1 (0.57) ADORA1ADORA2ANR4A2KMT2AGAA
SCHEMBL2960211 0.72 ADORA1 (0.64) ADORA1ADORA2ANR4A2KMT2AGAA
SCHEMBL5371726 0.70 KDM4E (0.46) ADORA1ADORA2ANR4A2KMT2AGAA
SCHEMBL26457583 0.70 ADORA2A (0.49) ADORA1ADORA2ANR4A2KMT2AGAA
SCHEMBL31350484 0.70 KDM4E (0.45) NR4A2KMT2AGAAMAPTKDM4E
SCHEMBL9379954 0.69 CYP1A2 (0.58) ADORA1NR4A2KMT2AGAAMAPT
SCHEMBL6392289 0.69 ADORA2A (0.47) ADORA1ADORA2ANR4A2KMT2AGAA

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 149/4885NR4A2 53/4885
US-20080085901-A1 Heteroaryl Substituted Quinolin-4-Ylamine Analogues PIGS, GPR52, GPR174 ADORA1 191/4885ADORA2A 203/4885NR4A2 102/4885

“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.