SCHEMBL2996946

SCHEMBL2996946

COc1cc2c(nc1OC)c(-c1cc3c(Cl)c(F)cnc3n1S(=O)(=O)c1ccc(C)cc1)cn2CCCN1CCC(O)CC1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.35
CSF1R P07333 1/20 0.32
SRC P12931 3/20 0.32
PIM1 P11309 1/20 0.32
PIM2 Q9P1W9 1/20 0.32
HTR4 Q13639 1/20 0.31
MET P08581 1/20 0.31
FYN P06241 1/20 0.31
FGFR1 P11362 1/20 0.31
CCNT1 O60563 1/20 0.31
CDK9 P50750 1/20 0.31
PDCD1 Q15116 1/20 0.31
CD274 Q9NZQ7 1/20 0.31
CYP3A4 P08684 1/20 0.30
DRD2 P14416 1/20 0.30
SLC6A2 P23975 1/20 0.30
HTR2A P28223 1/20 0.30
HTR2C P28335 1/20 0.30
HTR7 P34969 1/20 0.30
HRH1 P35367 1/20 0.30

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
SCHEMBL2991331 0.93 HTR4 (0.32) PIM1PIM2HTR4CYP3A4DRD2
SCHEMBL2991779 0.92 HTR6 (0.35) PIM1PIM2METFGFR1CYP3A4
SCHEMBL2982757 0.92 KIT (0.36) TDP1PIM1PIM2METKIT
SCHEMBL2988527 0.91 KIT (0.37) METKIT
SCHEMBL2985845 0.90 HTR6 (0.34) PIM1PIM2METCYP3A4KIT
SCHEMBL2986214 0.90 TDP1 (0.34) TDP1SRCHTR4METFYN
SCHEMBL2988487 0.89 PIM1 (0.35) PIM1PIM2
SCHEMBL2993772 0.88 HTR6 (0.36) PIM1PIM2CYP3A4DRD2SLC6A2
SCHEMBL2989166 0.88 PIM1 (0.35) PIM1PIM2
SCHEMBL2989479 0.88 KIT (0.36) PIM1PIM2METKIT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1799691-B1 NOVEL BIS-AZAINDOLE DERIVATIVES, PREPARATION AND PHARMACEUTICAL USE THEREOF AS KINASE INHIBITORS AVENTIS PHARMA SA (FR) 2011-12-21 EP disclosed
US-20100256141-A1 NOVEL BIS-AZAINDOLE DERIVATIVES, PREPARATION AND PHARMACEUTICAL USE THEREOF AS KINASE INHIBITORS AVENTIS PHARMA S.A. (FR) 2010-10-07 US disclosed
US-7786114-B2 Bis-azaindole derivatives, preparation and pharmaceutical use thereof as kinase inhibitors AVENTIS PHARMA S.A. (FR) 2010-08-31 US disclosed
US-20080045561-A1 Novel Bis-Azaindole Derivatives, Preparation And Pharmaceutical Use Thereof As Kinase Inhibitors AVENTIS PHARMA S.A. (FR) 2008-02-21 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 (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-20080045561-A1 Novel Bis-Azaindole Derivatives, Preparation And Pharmaceutical Use Thereof As Kinase Inhibitors BRSK2, KSR2, CDK2 TDP1 1720/4885CSF1R 2586/4885SRC 229/4885
US-20100256141-A1 NOVEL BIS-AZAINDOLE DERIVATIVES, PREPARATION AND PHARMACEUTICAL USE THEREOF AS KINASE INHIBITORS BRSK2, KSR2, CDK2 TDP1 1720/4885CSF1R 2586/4885SRC 229/4885

“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.