SCHEMBL2409910

SCHEMBL2409910

Cc1c(C=O)c[nH]c1-c1cccnc1F

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.45
ERN1 O75460 1/20 0.37
TRIM24 O15164 2/20 0.37
TRIM33 Q9UPN9 2/20 0.37
TDO2 P48775 1/20 0.36
DHODH Q02127 3/20 0.36
CHEK1 O14757 1/20 0.34
CCNT1 O60563 1/20 0.33
CDK9 P50750 1/20 0.33
HASPIN Q8TF76 1/20 0.33
GABRP O00591 1/20 0.33
GABRD O14764 1/20 0.33
GABRA1 P14867 1/20 0.33
GABRB1 P18505 1/20 0.33
GABRG2 P18507 1/20 0.33
GABRB3 P28472 1/20 0.33
GABRA5 P31644 1/20 0.33
GABRA3 P34903 1/20 0.33
GABRA2 P47869 1/20 0.33
GABRB2 P47870 1/20 0.33

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
SCHEMBL1835155 0.85 KMT2A (0.47) KMT2AERN1TRIM24TRIM33TDO2
SCHEMBL1278427 0.82 KMT2A (0.45) KMT2AERN1TRIM24TRIM33DHODH
SCHEMBL1156151 0.80 ERN1 (0.40) KMT2AERN1TRIM24TRIM33CYP2A6
SCHEMBL2414762 0.74 KMT2A (0.38) KMT2AERN1TRIM24TRIM33CHEK1
SCHEMBL2409903 0.73 DHODH (0.40) KMT2ATDO2DHODHNAPRTMAPT
SCHEMBL7679408 0.73 TRIM24 (0.48) KMT2AERN1TRIM24TRIM33NAPRT
SCHEMBL3477844 0.72 TDO2 (0.33) KMT2ATDO2CHEK1CCNT1CDK9
SCHEMBL14582402 0.72 ALDH1A1 (0.42) KMT2AERN1TRIM24TRIM33DHODH
SCHEMBL2407861 0.70 JAK3 (0.49) KMT2AKDM4EMEN1NPC1
SCHEMBL14899993 0.70 GPR84 (0.36) TDO2NAPRTMAPT

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
EP-2114917-B1 PYRROLE COMPOUNDS TAKEDA PHARMACEUTICAL (JP) 2016-08-10 EP disclosed
US-8933105-B2 Pyrrole compounds TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2015-01-13 US disclosed
EP-2364979-A1 Pyrrole compounds Takeda Pharmaceutical Company Limited (JP) 2011-09-14 EP disclosed
EP-2114917-A2 PYRROLE COMPOUNDS Takeda Pharmaceutical Company Limited (JP) 2009-11-11 EP disclosed
US-20080262042-A1 1-[5-(2-Fluoropyridin-3-yl)-1-(phenylsulfonyl)-1H-pyrrol-3-yl]-N-methylmethanamine or a salt thereof; acid secretion inhibitor; potassium-competitive acid blocker TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-10-23 US disclosed
WO-2008108380-A2 PYRROLE COMPOUNDS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-09-12 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 (1 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-20080262042-A1 1-[5-(2-Fluoropyridin-3-yl)-1-(phenylsulfonyl)-1H-pyrrol-3-yl]-N-methylmethanamine or a salt thereof; acid secretion inhibitor; potassium-competitive acid blocker REN, HRH2, ATP4A KMT2A 1066/4885ERN1 1707/4885TRIM24 3132/4885

“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.