SCHEMBL2953589

SCHEMBL2953589

Cc1cc(-c2c(C)[nH]c3ccc(C(F)(F)F)cc23)c2ccccc2n1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 4/20 0.48
CYP1A2 P05177 2/20 0.42
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
KDM4E B2RXH2 2/20 0.41
ALDH1A1 P00352 2/20 0.41
MAPT P10636 2/20 0.41
HPGD P15428 2/20 0.41
LMNA P02545 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
HSD17B10 Q99714 1/20 0.41
TUBB4A P04350 1/20 0.41
TUBB P07437 1/20 0.41
TUBA3C P0DPH7 1/20 0.41
TUBA1B P68363 1/20 0.41
TUBA4A P68366 1/20 0.41
TUBB4B P68371 1/20 0.41
TUBB3 Q13509 1/20 0.41
TUBB2A Q13885 1/20 0.41
TUBB8 Q3ZCM7 1/20 0.41

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
SCHEMBL2959234 0.73 NR1H2 (0.47) KIF11MEN1KMT2ACHUKCCNB2
SCHEMBL2953572 0.72 KIF11 (0.43) KIF11MEN1KMT2ACHUKCCNB2
SCHEMBL28046863 0.71 ESR1 (0.45) KIF11CYP1A2MEN1KMT2AKDM4E
SCHEMBL2959702 0.71 KIF11 (0.48) KIF11CYP1A2MEN1KMT2AKDM4E
SCHEMBL2959852 0.71 KIF11 (0.42) KIF11MEN1KMT2ALMNACHUK
SCHEMBL317801 0.71 PTGDR2 (0.53) KIF11MEN1KMT2AKDM4ENPBWR1
SCHEMBL27933943 0.69 KIF11 (0.49) KIF11MEN1KMT2AKDM4EALDH1A1
SCHEMBL16729570 0.68 MEN1 (0.64) KIF11MEN1KMT2AKDM4EALDH1A1
SCHEMBL2289172 0.68 KIF11 (0.61) KIF11KDM4ENPBWR1ESR1CCNB2
SCHEMBL6824367 0.68 NISCH (0.51) KIF11MEN1KMT2AKDM4ECHUK

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 2584/4885CYP1A2 45/4885MEN1 2839/4885
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 4239/4885CYP1A2 1386/4885MEN1 4579/4885

“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.