SCHEMBL1935112

SCHEMBL1935112

N#Cc1cc(Nc2ccccc2C(F)(F)F)ccn1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AURKA O14965 2/20 0.47
ALDH1A1 P00352 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
TGFBR1 P36897 1/20 0.43
TAS2R14 Q9NYV8 2/20 0.43
MAPT P10636 1/20 0.42
MAPK1 P28482 1/20 0.42
CACNA1B Q00975 1/20 0.42
APBA1 Q02410 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
IDH1 O75874 5/20 0.42
IDH2 P48735 1/20 0.41
ACP1 P24666 1/20 0.41
TEAD1 P28347 1/20 0.40
TEAD4 Q15561 1/20 0.40
TEAD2 Q15562 1/20 0.40
MALT1 Q9UDY8 3/20 0.39
KDR P35968 1/20 0.39
HDAC4 P56524 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39

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
SCHEMBL185440 0.79 CHEK1 (0.51)
SCHEMBL16481026 0.75 ACP1 (0.61) ALDH1A1TAS2R14MAPTMAPK1CACNA1B
SCHEMBL22563041 0.73 TAS2R14 (0.56) ALDH1A1TDP1TAS2R14MAPTMAPK1
SCHEMBL16481443 0.73 SLC22A12 (0.55) AURKAALDH1A1TDP1TAS2R14MAPT
SCHEMBL27962647 0.72 ALDH1A1 (0.49) AURKAALDH1A1TDP1MAPTMAPK1
SCHEMBL1935087 0.72 AR (0.57) ALDH1A1TGFBR1MAPK1
SCHEMBL1921413 0.71 ALDH1A1 (0.57) AURKAALDH1A1TDP1TAS2R14MAPT
SCHEMBL1935748 0.70 MAOB (0.51) KDR
SCHEMBL2592058 0.69 AURKA (0.59) AURKAALDH1A1TDP1MAPTMAPK1
SCHEMBL1933633 0.69 AR (0.50) KDR

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-2332936-B1 PYRIDINE COMPOUND AND USE THEREOF FOR PEST CONTROL SUMITOMO CHEMICAL CO (JP) 2013-09-04 EP disclosed
EP-2332936-B1 PYRIDINE COMPOUND AND USE THEREOF FOR PEST CONTROL SUMITOMO CHEMICAL CO (JP) 2013-09-04 EP disclosed
US-20110178132-A1 PYRIDINE COMPOUND AND USE THEREOF FOR PEST CONTROL SUMITOMO CHEMICAL COMPANY LIMITED (JP) 2011-07-21 US disclosed
US-20110178132-A1 PYRIDINE COMPOUND AND USE THEREOF FOR PEST CONTROL SUMITOMO CHEMICAL COMPANY LIMITED (JP) 2011-07-21 US disclosed
US-20110178132-A1 PYRIDINE COMPOUND AND USE THEREOF FOR PEST CONTROL SUMITOMO CHEMICAL COMPANY LIMITED (JP) 2011-07-21 US disclosed
EP-2332936-A1 PYRIDINE COMPOUND AND USE THEREOF FOR PEST CONTROL Sumitomo Chemical Company, Limited (JP) 2011-06-15 EP disclosed
EP-2332936-A1 PYRIDINE COMPOUND AND USE THEREOF FOR PEST CONTROL Sumitomo Chemical Company, Limited (JP) 2011-06-15 EP disclosed
WO-2010035899-A1 PYRIDINE COMPOUND AND USE THEREOF FOR PEST CONTROL 住友化学株式会社 (JP) 2010-04-01 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-20110178132-A1 PYRIDINE COMPOUND AND USE THEREOF FOR PEST CONTROL C5, PRDX1, PRDX4 AURKA 3781/4885ALDH1A1 1457/4885TDP1 3505/4885

“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.