SCHEMBL317769

SCHEMBL317769

Cc1ccc2[nH]c(C)c(-c3ccc4cccc(C#N)c4n3)c2c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP3K14 Q99558 1/20 0.37
EIF2AK2 P19525 3/20 0.37
CYP1A2 P05177 2/20 0.36
CYP2C9 P11712 1/20 0.36
PTGDR2 Q9Y5Y4 1/20 0.35
KDM4E B2RXH2 5/20 0.34
MEN1 O00255 5/20 0.34
KMT2A Q03164 5/20 0.34
MAPT P10636 4/20 0.34
GFER P55789 2/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
ALDH1A1 P00352 4/20 0.34
LMNA P02545 3/20 0.34
HTT P42858 3/20 0.34
GAA P10253 1/20 0.34
THRB P10828 1/20 0.34
PKM P14618 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
ESR1 P03372 1/20 0.34
NR4A1 P22736 1/20 0.34

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
SCHEMBL317489 0.84 AR (0.45) MAP3K14EIF2AK2CYP1A2CYP2C9KDM4E
SCHEMBL2963134 0.79 PTGS2 (0.41) MAP3K14EIF2AK2CYP1A2CYP2C9PTGDR2
SCHEMBL317121 0.77 PDE10A (0.42) MAP3K14EIF2AK2MEN1KMT2AMAPT
SCHEMBL2952530 0.76 MEN1 (0.36) MAP3K14EIF2AK2CYP1A2CYP2C9KDM4E
SCHEMBL15704191 0.69 CYP1A2 (0.57) CYP1A2CYP2C9KDM4EMAPTALDH1A1
SCHEMBL20115879 0.67 AR (0.49) KDM4EMEN1KMT2AMAPTL3MBTL1
SCHEMBL20115838 0.67 MEN1 (0.47) KDM4EMEN1KMT2AMAPTL3MBTL1
SCHEMBL317230 0.66 MEN1 (0.44) CYP1A2CYP2C9PTGDR2KDM4EMEN1
SCHEMBL3971295 0.66 METAP2 (0.53) CYP1A2KDM4EMEN1KMT2AMAPT
SCHEMBL24201852 0.66 HSD17B10 (0.47) KDM4EMEN1KMT2AMAPTL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8093278-B2 Substituted indoles ASTRAZENECA AB (SE) 2012-01-10 US disclosed
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 MAP3K14 3677/4885EIF2AK2 1008/4885CYP1A2 45/4885
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 MAP3K14 2656/4885EIF2AK2 1395/4885CYP1A2 1386/4885

“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.