SCHEMBL258973

SCHEMBL258973

Cc1ccn2ncnc2c1C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 3/20 0.39
ALDH1A1 P00352 3/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
EGFR P00533 3/20 0.38
KDR P35968 2/20 0.38
FLT1 P17948 1/20 0.38
FLT4 P35916 1/20 0.38
TLR9 Q9NR96 1/20 0.36
TLR8 Q9NR97 1/20 0.36
TLR7 Q9NYK1 1/20 0.36
IRAK4 Q9NWZ3 1/20 0.36
KDM4E B2RXH2 1/20 0.35
NCOA1 Q15788 1/20 0.35
NCOA3 Q9Y6Q9 1/20 0.35
MAP4K4 O95819 3/20 0.34
SMPD3 Q9NY59 2/20 0.33
PDE10A Q9Y233 2/20 0.33
GLA P06280 1/20 0.33
TP53 P04637 1/20 0.33

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
Hydrochloric Acid SCHEMBL29445764 0.98 HTT (0.38) HTTALDH1A1MEN1KMT2AEGFR
SCHEMBL22595104 0.80 EGFR (0.36) HTTALDH1A1MEN1KMT2AEGFR
SCHEMBL22821915 0.80 SMPD3 (0.41) HTTALDH1A1MEN1KMT2AEGFR
SCHEMBL29864794 0.77 EGFR (0.35) HTTALDH1A1MEN1KMT2AEGFR
SCHEMBL2032616 0.75 MAP4K4 (0.46) HTTALDH1A1MEN1KMT2AEGFR
SCHEMBL21104079 0.72 MEN1 (0.40) HTTALDH1A1MEN1KMT2AEGFR
SCHEMBL20272426 0.71 EGFR (0.48) EGFRKDRFLT1FLT4IRAK4
SCHEMBL16204458 0.68 MAP4K4 (0.47) EGFRKDRFLT1FLT4IRAK4
SCHEMBL12537638 0.68 EGFR (0.52) EGFRKDRFLT1FLT4IRAK4
SCHEMBL1219978 0.68 EGFR (0.49) EGFRKDRFLT1FLT4IRAK4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111491930-B Substituted Indole Compounds Useful as TLR Inhibitors 百时美施贵宝公司 2023-09-26 CN claimed
EP-4041730-A1 SUBSTITUTED BICYCLIC HETEROARYL COMPOUNDS Bristol-Myers Squibb Company (US) 2022-08-17 EP claimed
US-11820768-B2 4-azaindole compounds BRISTOL-MYERS SQUIBB COMPANY (US) 2023-11-21 US disclosed
US-11672780-B2 [1,2,4]triazolo[1,5-a]pyridinyl substituted indole compounds BRISTOL-MYERS SQUIBB COMPANY (US) 2023-06-13 US disclosed
US-20220340555-A1 4-AZAINDOLE COMPOUNDS BRISTOL MYERS SQUIBB CO (US) 2022-10-27 US disclosed
US-9592230-B2 Substituted imidazoles as PDE10A inhibitors H. LUNDBECK A/S (DK) 2017-03-14 US disclosed
US-20150190395-A1 Novel Phenylimidazole Derivatives as PDE10A Enzyme Inhibitors H. LUNDBECK A/S (DK) 2015-07-09 US disclosed
US-20150025081-A1 NOVEL PHENYLIMIDAZOLE DERIVATIVES AS PDE10A ENZYME INHIBITORS H. LUNDBECK A/S (DK) 2015-01-22 US disclosed
US-8865711-B2 Phenylimidazole derivatives as PDE10A enzyme inhibitors H. LUNDBECK A/S (DK) 2014-10-21 US disclosed
US-20120135987-A1 NOVEL PHENYLIMIDAZOLE DERIVATIVES AS PDE10A ENZYME INHIBITORS H. LUNDBECK A/S (DK) 2012-05-31 US disclosed
US-8133897-B2 Phenylimidazole derivatives as PDE10A enzyme inhibitors H. LUNDBECK A/S (DK) 2012-03-13 US disclosed
US-20100016303-A1 NOVEL PHENYLIMIDAZOLE DERIVATIVES AS PDE10A ENZYME INHIBITORS H. LUNDBECK A/S (DK) 2010-01-21 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 (7 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-11820768-B2 4-azaindole compounds TLR7, TLR9, TLR5 HTT 4393/4885ALDH1A1 1039/4885MEN1 2994/4885
US-20220340555-A1 4-AZAINDOLE COMPOUNDS TLR7, TLR9, TLR5 HTT 4393/4885ALDH1A1 1039/4885MEN1 2994/4885
US-20100016303-A1 NOVEL PHENYLIMIDAZOLE DERIVATIVES AS PDE10A ENZYME INHIBITORS PDE10A, PDE5A, PDE3B HTT 661/4885ALDH1A1 65/4885MEN1 4453/4885
US-11672780-B2 [1,2,4]triazolo[1,5-a]pyridinyl substituted indole compounds TLR7, TLR1, TLR5 HTT 3874/4885ALDH1A1 1780/4885MEN1 1756/4885
US-20150190395-A1 Novel Phenylimidazole Derivatives as PDE10A Enzyme Inhibitors PDE10A, PDE5A, PDE3B HTT 661/4885ALDH1A1 65/4885MEN1 4453/4885
US-20120135987-A1 NOVEL PHENYLIMIDAZOLE DERIVATIVES AS PDE10A ENZYME INHIBITORS PDE10A, PDE5A, PDE3B HTT 661/4885ALDH1A1 65/4885MEN1 4453/4885
US-20150025081-A1 NOVEL PHENYLIMIDAZOLE DERIVATIVES AS PDE10A ENZYME INHIBITORS PDE10A, PDE5A, PDE3B HTT 661/4885ALDH1A1 65/4885MEN1 4453/4885

“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.