SCHEMBL2528673

SCHEMBL2528673

Ic1c(-c2ccccc2)nn2c1COCC2

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.40
TSHR P16473 3/20 0.40
HSD17B10 Q99714 2/20 0.40
KDM4E B2RXH2 2/20 0.40
HPGD P15428 1/20 0.40
LMNA P02545 1/20 0.39
MAPT P10636 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
CASP1 P29466 1/20 0.39
CSNK1D P48730 1/20 0.38
AR P10275 3/20 0.37
ACVR1 Q04771 3/20 0.37
L3MBTL1 Q9Y468 1/20 0.35
HTT P42858 1/20 0.35
ADORA3 P0DMS8 1/20 0.34
ADORA1 P30542 1/20 0.34

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
SCHEMBL22768040 0.82 ALDH1A1 (0.39) ALDH1A1TSHRHSD17B10KDM4EHPGD
SCHEMBL22767997 0.78 KMT2A (0.43) ALDH1A1TSHRHSD17B10HPGDLMNA
SCHEMBL2521875 0.76 THRB (0.43) ALDH1A1HSD17B10KDM4E
SCHEMBL2524316 0.75 PTGS2 (0.45) ALDH1A1KDM4EHPGDL3MBTL1
SCHEMBL24745100 0.70 PRMT1 (0.32)
SCHEMBL20213765 0.70 PTPN1 (0.40) ALDH1A1TSHRHSD17B10KDM4EHPGD
SCHEMBL3107409 0.69 CSNK1D (0.76) CSNK1DACVR1
SCHEMBL23645307 0.69 POLB (0.31)
SCHEMBL20663920 0.68 MPO (0.50) ALDH1A1TSHRHSD17B10KDM4EHPGD
SCHEMBL14844924 0.68 HTT (0.35) ALDH1A1NPSR1HTTADORA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2556073-B1 BICYCLIC PYRIDINYL PYRAZOLES BAYER IP GMBH (DE) 2014-07-23 EP disclosed
US-8507472-B2 Bicyclic pyridinylpyrazoles BAYER CROPSCIENCE AG (DE) 2013-08-13 US disclosed
EP-2556073-A1 BICYCLIC PYRIMIDINYL PYRAZOLES Bayer Intellectual Property GmbH (DE) 2013-02-13 EP disclosed
WO-2011124539-A1 BICYCLIC PYRIMIDINYL PYRAZOLES BAYER CROPSCIENCE AG (DE) 2011-10-13 WO disclosed
US-20110251178-A1 Bicyclic Pyridinylpyrazoles BAYER CROPSCIENCE AG (DE) 2011-10-13 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 (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-20110251178-A1 Bicyclic Pyridinylpyrazoles PLPBP, PNPO, PIR ALDH1A1 1179/4885TSHR 3280/4885HSD17B10 3247/4885

“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.