SCHEMBL13779281

SCHEMBL13779281

Cc1ccc(C)n1-c1cccc(N)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 1.00
KDM4E B2RXH2 8/20 1.00
MAPT P10636 6/20 1.00
MEN1 O00255 4/20 1.00
KMT2A Q03164 4/20 1.00
ALOX15 P16050 3/20 1.00
CASP1 P29466 3/20 1.00
CASP7 P55210 1/20 1.00
RECQL P46063 2/20 0.52
NR4A1 P22736 2/20 0.52
POLB P06746 2/20 0.52
USP2 O75604 2/20 0.52
GAA P10253 2/20 0.52
MYC P01106 1/20 0.52
HSPA1A P0DMV8 1/20 0.52
PTPN7 P35236 1/20 0.52
BLM P54132 1/20 0.52
HSD17B10 Q99714 1/20 0.52
TDP1 Q9NUW8 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.52

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
SCHEMBL30242186 0.77 MAPT (0.62) ALDH1A1KDM4EMAPTMEN1KMT2A
SCHEMBL14036344 0.77 ALDH1A1 (0.63) ALDH1A1KDM4EMAPTMEN1KMT2A
SCHEMBL4967461 0.76 ALDH1A1 (0.61) ALDH1A1KDM4EMAPTMEN1KMT2A
SCHEMBL29665057 0.74 ALDH1A1 (0.59) ALDH1A1KDM4EMAPTMEN1KMT2A
SCHEMBL3547390 0.74 ALDH1A1 (0.59) ALDH1A1KDM4EMAPTMEN1KMT2A
SCHEMBL14402131 0.74 ALDH1A1 (0.59) ALDH1A1KDM4EMAPTMEN1KMT2A
SCHEMBL16720842 0.74 ALDH1A1 (0.59) ALDH1A1KDM4EMAPTMEN1KMT2A
SCHEMBL5083720 0.74 ALDH1A1 (0.59) ALDH1A1KDM4EMAPTMEN1KMT2A
SCHEMBL17172466 0.74 KDM4E (0.58) ALDH1A1KDM4EMAPTMEN1KMT2A
SCHEMBL16719288 0.72 NOTUM (0.57) ALDH1A1KDM4EMAPTMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9567301-B2 Pyrrol-1-yl benzoic acid derivatives useful as myc inhibitors DANA-FARBER CANCER INSTITUTE, INC. (US) 2017-02-14 US disclosed
US-9540320-B2 2017-01-10 US disclosed
US-20150291521-A1 PYRROL-1-YL BENZOIC ACID DERIVATIVES USEFUL AS MYC INHIBITORS DANA-FARBER CANCER INSTITUTE, INC. 2015-10-15 US disclosed
US-20090176773-A1 Non-Peptidic Inhibitors of AKAP/PKA Interaction FORSCHUNGSVERBUND BERLIN E.V. (DE) 2009-07-09 US disclosed
US-20090176773-A1 Non-Peptidic Inhibitors of AKAP/PKA Interaction FORSCHUNGSVERBUND BERLIN E.V. (DE) 2009-07-09 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-20090176773-A1 Non-Peptidic Inhibitors of AKAP/PKA Interaction PRKCH, AIP, PRKCE ALDH1A1 4689/4885KDM4E 2954/4885MAPT 3655/4885
US-20150291521-A1 PYRROL-1-YL BENZOIC ACID DERIVATIVES USEFUL AS MYC INHIBITORS MYC, MYCBP, YAP1 ALDH1A1 963/4885KDM4E 1673/4885MAPT 2353/4885

“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.