SCHEMBL2951882

SCHEMBL2951882

Cc1ccc2c(-c3c(C)[nH]c4ccc(F)cc34)ccnc2c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 1/20 0.49
HTR2A P28223 1/20 0.43
HTR2C P28335 1/20 0.43
HTR7 P34969 1/20 0.43
HTR6 P50406 1/20 0.43
CCNB2 O95067 1/20 0.39
CDK1 P06493 1/20 0.39
CCNB1 P14635 1/20 0.39
CCNA2 P20248 1/20 0.39
CDK2 P24941 1/20 0.39
CCNA1 P78396 1/20 0.39
CDK5 Q00535 1/20 0.39
CDK5R1 Q15078 1/20 0.39
CCNB3 Q8WWL7 1/20 0.39
NSD3 Q9BZ95 4/20 0.39
PTGS1 P23219 2/20 0.39
PTGS2 P35354 1/20 0.39
MEN1 O00255 1/20 0.38
ALDH1A1 P00352 1/20 0.38
THRB P10828 1/20 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
SCHEMBL3042442 0.91 HTR1A (0.42) CDK5CDK5R1NSD3PTGS1MEN1
SCHEMBL317503 0.90 KIF11 (0.46) KIF11HTR2AHTR2CHTR7HTR6
SCHEMBL2961240 0.88 MAP3K14 (0.48) KIF11HTR2AHTR2CHTR7HTR6
SCHEMBL317371 0.82 PTGDR2 (0.52) HTR2AHTR2CHTR7HTR6PTGS1
SCHEMBL317801 0.82 PTGDR2 (0.53) KIF11CCNB2CDK1CCNB1CDK5
SCHEMBL2955003 0.78 MAPK14 (0.47) KIF11HTR2AHTR2CHTR7HTR6
SCHEMBL2961347 0.76 PTGDR2 (0.44) HTR2AHTR2CHTR7HTR6CDK5
SCHEMBL317746 0.75 PTGDR2 (0.53) CDK5CDK5R1PTGS1PTGS2MEN1
SCHEMBL2961945 0.75 NR1H2 (0.47) HTR2AHTR2CHTR7HTR6PTGS2
SCHEMBL2958472 0.74 SMN1; SMN2 (0.42) CDK5CDK5R1MEN1ALDH1A1HPGD

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-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

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 KIF11 2584/4885HTR2A 27/4885HTR2C 17/4885
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 KIF11 4239/4885HTR2A 171/4885HTR2C 245/4885

“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.