SCHEMBL22441571

SCHEMBL22441571

COc1cc2nccc(N3CCNC(C)C3)c2cc1OC

nearest known ligand 0.71

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
NCF1 P14598 2/20 0.71
EHMT2 Q96KQ7 5/20 0.52
EHMT1 Q9H9B1 5/20 0.52
PDE10A Q9Y233 9/20 0.52
PDGFRB P09619 1/20 0.44
NPC1 O15118 1/20 0.44
HTR6 P50406 2/20 0.44
HTR1A P08908 1/20 0.44
HTR1D P28221 1/20 0.44
HTR1B P28222 1/20 0.44

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
SCHEMBL22445501 1.00 NCF1 (0.71) NCF1EHMT2EHMT1PDE10APDGFRB
SCHEMBL22441569 1.00 NCF1 (0.71) NCF1EHMT2EHMT1PDE10APDGFRB
Hydrochloric Acid SCHEMBL29357484 0.99 NCF1 (0.70) NCF1EHMT2EHMT1PDE10APDGFRB
Hydrochloric Acid SCHEMBL28931606 0.99 NCF1 (0.70) NCF1EHMT2EHMT1PDE10APDGFRB
Hydrochloric Acid SCHEMBL28931608 0.99 NCF1 (0.70) NCF1EHMT2EHMT1PDE10APDGFRB
SCHEMBL22441572 0.83 NCF1 (1.00) NCF1EHMT2EHMT1PDGFRBNPC1
SCHEMBL23726690 0.79 NCF1 (0.90) NCF1EHMT2EHMT1PDGFRBNPC1
SCHEMBL30080033 0.79 NCF1 (0.90) NCF1EHMT2EHMT1PDGFRBNPC1
SCHEMBL4041944 0.79 HTR6 (0.49) NCF1HTR6HTR1AHTR1DHTR1B
SCHEMBL5640236 0.79 ADRB2 (0.68) NCF1NPC1HTR6HTR1AHTR1D

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-11407729-B2 Quinoline and quinazoline compounds and methods of use thereof Stingray Therapeutics, Inc. (US) 2022-08-09 US disclosed
US-20200299258-A1 QUINOLINE AND QUINAZOLINE COMPOUNDS AND METHODS OF USE THEREOF STINGRAY THERAPEUTICS INC (US) 2020-09-24 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-20200299258-A1 QUINOLINE AND QUINAZOLINE COMPOUNDS AND METHODS OF USE THEREOF ENPP1, ENPP3, PDE7A NCF1 283/4885EHMT2 2342/4885EHMT1 1468/4885
US-11407729-B2 Quinoline and quinazoline compounds and methods of use thereof ENPP1, ENPP3, PDE7A NCF1 283/4885EHMT2 2342/4885EHMT1 1468/4885

“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.