SCHEMBL13622758

SCHEMBL13622758

Cc1ccc2c(N)cc(C)nc2n1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 5/20 0.64
ADORA2A P29274 4/20 0.64
NCF1 P14598 1/20 0.52
NR4A2 P43354 2/20 0.52
KMT2A Q03164 3/20 0.50
GAA P10253 2/20 0.50
CYP1A2 P05177 2/20 0.43
ALDH1A1 P00352 2/20 0.42
CASP1 P29466 1/20 0.42
CASP7 P55210 1/20 0.42
HSD17B10 Q99714 1/20 0.42
KDM4E B2RXH2 3/20 0.40
GNG2 P59768 2/20 0.40
GNB1 P62873 2/20 0.40
TDP1 Q9NUW8 1/20 0.40
MEN1 O00255 1/20 0.40
MMP1 P03956 1/20 0.40
MMP9 P14780 1/20 0.40
ALOX15 P16050 1/20 0.40
BLM P54132 1/20 0.40

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 0.84 ADORA2A (0.49) ADORA1ADORA2ANCF1NR4A2KMT2A
SCHEMBL13622770 0.84 ADORA1 (0.57) ADORA1ADORA2ANCF1NR4A2KMT2A
SCHEMBL13622765 0.84 ADORA1 (0.57) ADORA1ADORA2ANCF1NR4A2KMT2A
SCHEMBL26535237 0.78 CCR1 (0.58) ADORA1ADORA2ANCF1NR4A2KMT2A
SCHEMBL13223118 0.77 KMT2A (0.66) ADORA1ADORA2AKMT2AGAACYP1A2
SCHEMBL31375166 0.76 NCF1 (0.55) ADORA1ADORA2ANCF1NR4A2KMT2A
SCHEMBL6392289 0.75 ADORA2A (0.47) ADORA1ADORA2ANCF1NR4A2KMT2A
SCHEMBL2960211 0.74 ADORA1 (0.64) ADORA1ADORA2ANR4A2KMT2AGAA
SCHEMBL9820399 0.74 KMT2A (0.47) ADORA1ADORA2AKMT2AGAACYP1A2
SCHEMBL31115657 0.72 ADORA1 (0.49) ADORA1ADORA2AKMT2AGAAALDH1A1

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 149/4885NCF1 2450/4885
US-20080085901-A1 Heteroaryl Substituted Quinolin-4-Ylamine Analogues PIGS, GPR52, GPR174 ADORA1 191/4885ADORA2A 203/4885NCF1 1444/4885

“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.