SCHEMBL3638115

SCHEMBL3638115

Cc1[nH]c2c(F)ccc(Br)c2c1CCN

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KRAS P01116 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
HTR6 P50406 3/20 0.37
HTR1D P28221 2/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C9 P11712 1/20 0.37
MAPK1 P28482 1/20 0.37
CYP2C19 P33261 1/20 0.37
HTR7 P34969 1/20 0.37
HTR3A P46098 1/20 0.37
HSD17B10 Q99714 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
RAD52 P43351 1/20 0.32
BLM P54132 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
TAAR1 Q96RJ0 4/20 0.31

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
SCHEMBL3638377 0.87 KRAS (0.51) KRASSMN1; SMN2HTR6HTR1DCYP1A2
SCHEMBL3235519 0.84 KRAS (0.45) KRASSMN1; SMN2HTR6HTR1DCYP1A2
Hydrochloric Acid SCHEMBL3582811 0.83 SMN1; SMN2 (0.47) KRASSMN1; SMN2HTR6HTR1DCYP1A2
SCHEMBL3639756 0.81 KRAS (0.54) KRASSMN1; SMN2HTR6HTR1DCYP1A2
SCHEMBL3234397 0.80 KRAS (0.42) KRASSMN1; SMN2HTR6HTR1DCYP1A2
SCHEMBL3234804 0.79 CYP1A2 (0.43) KRASSMN1; SMN2HTR6HTR1DCYP1A2
SCHEMBL3642950 0.79 SMN1; SMN2 (0.57) KRASSMN1; SMN2HTR6HTR1DCYP1A2
Hydrochloric Acid SCHEMBL3622627 0.78 SMN1; SMN2 (0.43) KRASSMN1; SMN2HTR6HTR1DCYP1A2
SCHEMBL3231998 0.76 KRAS (0.41) KRASSMN1; SMN2HTR6HTR1DCYP1A2
SCHEMBL3224445 0.75 KRAS (0.57) KRASSMN1; SMN2HTR6HTR1DCYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2167077-A2 ARYL/HETARYLAMIDES AS MODULATORS OF THE EP2 RECEPTOR Bayer Schering Pharma Aktiengesellschaft (DE) 2010-03-31 EP disclosed
US-20090023741-A1 ARYL/HETARYLAMIDES AS MODULATORS OF THE EP2 RECEPTOR BAYER SCHERING PHARMA AG (DE) 2009-01-22 US disclosed
US-20090023741-A1 ARYL/HETARYLAMIDES AS MODULATORS OF THE EP2 RECEPTOR BAYER SCHERING PHARMA AG (DE) 2009-01-22 US disclosed
US-20090023741-A1 ARYL/HETARYLAMIDES AS MODULATORS OF THE EP2 RECEPTOR BAYER SCHERING PHARMA AG (DE) 2009-01-22 US disclosed
WO-2008152099-A2 ARYL/HETARYLAMIDES AS MODULATORS OF THE EP2 RECEPTOR BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2008-12-18 WO disclosed
WO-2008152099-A2 ARYL/HETARYLAMIDES AS MODULATORS OF THE EP2 RECEPTOR BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2008-12-18 WO disclosed
EP-2002838-A1 Use of aryl and hetaryl amide derivatives as modulators of an EP2 receptor Bayer Schering Pharma AG (DE) 2008-12-17 EP disclosed
EP-2002834-A1 Aryl and hetaryl amides as modulators of EP2 receptors Bayer Schering Pharma Aktiengesellschaft (DE) 2008-12-17 EP 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-20090023741-A1 ARYL/HETARYLAMIDES AS MODULATORS OF THE EP2 RECEPTOR PTGER2, PTGER1, PTGDR2 KRAS 2965/4885SMN1; SMN2 4144/4885HTR6 251/4885

“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.