SCHEMBL2954875

SCHEMBL2954875

Cc1cccc2[nH]cc(-c3nsc4ccccc34)c12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR84 Q9NQS5 1/20 0.44
HTR2A P28223 1/20 0.41
NPC1 O15118 4/20 0.39
ATM Q13315 2/20 0.39
ATP4A P20648 2/20 0.39
ATP4B P51164 2/20 0.39
CTNNB1 P35222 1/20 0.37
WNT3A P56704 1/20 0.37
MAPT P10636 5/20 0.36
KDM4E B2RXH2 4/20 0.36
SMN1; SMN2 Q16637 3/20 0.36
ALDH1A1 P00352 2/20 0.36
RAB9A P51151 2/20 0.36
MAPK1 P28482 2/20 0.36
PKM P14618 1/20 0.36
GAA P10253 2/20 0.36
TP53 P04637 1/20 0.36
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
HSD17B10 Q99714 2/20 0.35

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
SCHEMBL2961014 0.76 GABRP (0.39) ATP4AATP4BMAPTKDM4EALDH1A1
SCHEMBL11352516 0.68 MAPT (0.41) NPC1MAPTKDM4ESMN1; SMN2ALDH1A1
SCHEMBL30987223 0.68 MAPT (0.60) MAPTKDM4ESMN1; SMN2ALDH1A1TP53
SCHEMBL28563540 0.68 MAPT (0.60) MAPTKDM4ESMN1; SMN2ALDH1A1TP53
SCHEMBL317201 0.68 KMT2A (0.41) KDM4EALDH1A1GAAMEN1KMT2A
SCHEMBL8121252 0.66 GPR84 (0.73) GPR84HTR2AATMCTNNB1WNT3A
SCHEMBL15564328 0.66 TSHR (0.46) GPR84HTR2AATMIMPDH2
SCHEMBL29713628 0.66 ATM (0.61) NPC1ATMCTNNB1WNT3AMAPT
SCHEMBL22044988 0.66 ATM (0.61) NPC1ATMCTNNB1WNT3AMAPT
SCHEMBL9085201 0.66 PRKCB (0.72) PRKCBPRKCAPRKCHPRKCEPRKCQ

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-20100210685-A1 Novel Substituted Indoles ASTRAZENECA AB (SE) 2010-08-19 US disclosed
US-7754735-B2 Substituted indoles ASTRAZENECA AB (SE) 2010-07-13 US disclosed
US-20050222201-A1 such as 3-(2-chloro-4-quinolinyl)-2,5-dimethyl-1H-indole-1-acetic acid, used for treating respiratory system disorders and as inhibitors of G protein-coupled receptor chemoattractant homologous receptor expressed on lymphocyte cells (CRTH2) ASTRAZENECA AB (SE) 2005-10-06 US disclosed
EP-1549634-A1 NOVEL SUBSTITUTED INDOLES AstraZeneca AB (SE) 2005-07-06 EP disclosed
WO-2003101981-A1 NOVEL SUBSTITUTED INDOLES ASTRAZENECA AB (SE) 2003-12-11 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 (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-20100210685-A1 Novel Substituted Indoles IDO1, IDO2, TPH1 GPR84 487/4885HTR2A 27/4885NPC1 1475/4885
US-20050222201-A1 such as 3-(2-chloro-4-quinolinyl)-2,5-dimethyl-1H-indole-1-acetic acid, used for treating respiratory system disorders and as inhibitors of G protein-coupled receptor chemoattractant homologous receptor expressed on lymphocyte cells (CRTH2) HRH2, HRH1, HCAR2 GPR84 50/4885HTR2A 171/4885NPC1 3934/4885

“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.