SCHEMBL22307609

SCHEMBL22307609

Cc1cn2cc(-c3ccccc3)nc2c(C)n1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 4/20 0.57
ADORA2A P29274 3/20 0.57
ALDH1A1 P00352 8/20 0.57
KDM4E B2RXH2 6/20 0.57
SMN1; SMN2 Q16637 5/20 0.57
NPC1 O15118 5/20 0.57
RAB9A P51151 5/20 0.57
HPGD P15428 4/20 0.57
TP53 P04637 4/20 0.57
TSHR P16473 3/20 0.57
HSD17B10 Q99714 3/20 0.57
NPSR1 Q6W5P4 1/20 0.57
ALDH1A3 P47895 3/20 0.50
PKM P14618 3/20 0.50
ALDH1A2 O94788 2/20 0.50
CDK5 Q00535 1/20 0.50
KMT2A Q03164 1/20 0.50
CDK5R1 Q15078 1/20 0.50
GAA P10253 2/20 0.49
LMNA P02545 1/20 0.49

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
SCHEMBL14067490 0.81 APP (0.56)
SCHEMBL22290869 0.78 ALDH1A1 (0.48) ADORA1ADORA2AALDH1A1KDM4ESMN1; SMN2
SCHEMBL24163735 0.77 ALDH1A1 (0.33) ALDH1A1HPGDHSD17B10
SCHEMBL13325756 0.75 NPC1 (0.64) ADORA1ADORA2AALDH1A1KDM4ESMN1; SMN2
SCHEMBL13325790 0.73 ALDH1A3 (0.59) ADORA1ADORA2AALDH1A1KDM4ESMN1; SMN2
SCHEMBL25919738 0.73 ADORA2A (0.47) ADORA1ADORA2AALDH1A1KDM4ESMN1; SMN2
SCHEMBL4837433 0.72 ALDH1A1 (1.00) ALDH1A1KDM4ESMN1; SMN2NPC1RAB9A
SCHEMBL22369826 0.72 KDM4E (0.37) ADORA1ADORA2AKDM4ENPC1RAB9A
SCHEMBL31071672 0.72 NPC1 (0.63) ADORA1ADORA2AALDH1A1KDM4ESMN1; SMN2
SCHEMBL13325903 0.70 ALDH1A1 (0.94) ALDH1A1KDM4ESMN1; SMN2NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230029009-A1 CHEMICAL COMPOUNDS BLUE OWL CAPITAL CORPORATION, AS NEW AGENT 2023-01-26 US disclosed
US-11459331-B2 Chemical compounds AVISTA PHARMA SOLUTIONS, INC. (US) 2022-10-04 US disclosed
US-20200270257-A1 Chemical Compounds BLUE OWL CAPITAL CORPORATION, AS NEW AGENT 2020-08-27 US disclosed
WO-2020160075-A1 CHEMICAL COMPOUNDS AVISTA PHARMA SOLUTIONS, INC. (US) 2020-08-06 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 (3 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-11459331-B2 Chemical compounds PTGER4, PTGES, PTGES2 ADORA1 287/4885ADORA2A 114/4885ALDH1A1 1265/4885
US-20230029009-A1 CHEMICAL COMPOUNDS PTGER4, PTGES, PTGES2 ADORA1 287/4885ADORA2A 114/4885ALDH1A1 1265/4885
US-20200270257-A1 Chemical Compounds PTGER4, PTGES, PTGES2 ADORA1 287/4885ADORA2A 114/4885ALDH1A1 1265/4885

“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.