SCHEMBL20098971

SCHEMBL20098971

CCCc1cc(N)cc(OC)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 2/20 0.56
PTGS2 P35354 1/20 0.47
CALM1 P0DP23 4/20 0.44
ALDH1A1 P00352 3/20 0.41
CYP3A4 P08684 2/20 0.41
AKR1B1 P15121 1/20 0.41
TAAR1 Q96RJ0 2/20 0.39
GABRA1 P14867 1/20 0.39
GABRG2 P18507 1/20 0.39
GABRB3 P28472 1/20 0.39
GABRA3 P34903 1/20 0.39
GABRA2 P47869 1/20 0.39
GABRB2 P47870 1/20 0.39
GRIN2D O15399 2/20 0.38
GRIN3B O60391 2/20 0.38
GRIN1 Q05586 2/20 0.38
GRIN2A Q12879 2/20 0.38
GRIN2B Q13224 2/20 0.38
GRIN2C Q14957 2/20 0.38
GRIN3A Q8TCU5 2/20 0.38

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
SCHEMBL30380963 1.00 CYP19A1 (0.56) CYP19A1PTGS2CALM1ALDH1A1CYP3A4
SCHEMBL15285314 0.89 PTGS2 (0.57) CYP19A1PTGS2CALM1ALDH1A1CYP3A4
SCHEMBL10474113 0.85 PTGS2 (0.63) CYP19A1PTGS2CYP3A4
SCHEMBL427550 0.85 CYP19A1 (0.55) CYP19A1PTGS2CALM1ALDH1A1CYP3A4
SCHEMBL31347520 0.84 CYP19A1 (0.61) CYP19A1TAAR1MAPK1TDP1
SCHEMBL29738341 0.83 CYP19A1 (0.50) CYP19A1PTGS2CALM1ALDH1A1CYP3A4
SCHEMBL5832074 0.83 CYP19A1 (0.50) CYP19A1PTGS2CALM1ALDH1A1CYP3A4
Butane SCHEMBL9017614 0.81 CYP19A1 (0.44) CYP19A1PTGS2CALM1ALDH1A1CYP3A4
SCHEMBL4575378 0.80 CNR1 (0.38) CYP19A1PTGS2ALDH1A1CYP3A4GABRA1
SCHEMBL10492672 0.80 CNR1 (0.38) CYP19A1PTGS2ALDH1A1CYP3A4GABRA1

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-20230339867-A1 PYRAZINE COMPOUNDS AS INHIBITORS OF FLT3 BIOMEA FUSION, INC. 2023-10-26 US disclosed
WO-2023060173-A1 COMPOUNDS, COMPOSITIONS AND METHODS OF USE AQUINNAH PHARMACEUTICALS, INC. (US) 2023-04-13 WO disclosed
US-9956213-B2 Substituted naphthyridine and quinoline compounds as MAO inhibitors DART NEUROSCIENCE (CAYMAN) LTD. (KY) 2018-05-01 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 (1 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-20230339867-A1 PYRAZINE COMPOUNDS AS INHIBITORS OF FLT3 FLT3, MCL1, CSF3R CYP19A1 2638/4885PTGS2 3102/4885CALM1 2352/4885

“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.