SCHEMBL895872

SCHEMBL895872

Cc1cccc(-c2c(Cl)nnc(C)c2-c2ccc(Cl)cc2)n1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 5/20 0.47
CCR1 P32246 1/20 0.43
CCR8 P51685 1/20 0.43
HSD11B1 P28845 1/20 0.38
GRM5 P41594 2/20 0.38
MEN1 O00255 3/20 0.37
KMT2A Q03164 3/20 0.37
MAPT P10636 3/20 0.37
CYP2A6 P11509 1/20 0.36
ALDH1A1 P00352 2/20 0.36
TP53 P04637 2/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
THRB P10828 2/20 0.34
RAB9A P51151 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
NPC1 O15118 1/20 0.34
NFKB1 P19838 1/20 0.34
NFKB2 Q00653 1/20 0.34
RELA Q04206 1/20 0.34
GBA1 P04062 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
SCHEMBL896765 0.81 L3MBTL1 (0.48) TGFBR1CCR1CCR8HSD11B1GRM5
SCHEMBL2615266 0.77 CCR1 (0.60) TGFBR1CCR1CCR8HSD11B1GRM5
SCHEMBL69222 0.76 NPC1 (0.44) GRM5MEN1KMT2ATP53L3MBTL1
SCHEMBL29369509 0.76 NPC1 (0.44) GRM5MEN1KMT2ATP53L3MBTL1
SCHEMBL896720 0.75 TGFBR1 (0.49) TGFBR1CCR1CCR8HSD11B1MEN1
SCHEMBL2888290 0.75 NPC1 (0.43) GRM5MEN1KMT2ATP53L3MBTL1
SCHEMBL896698 0.75 CCR1 (0.44) CCR1CCR8GRM5MEN1KMT2A
SCHEMBL896348 0.74 KMT2A (0.40) MEN1KMT2AMAPTALDH1A1L3MBTL1
SCHEMBL2348112 0.72 NPC1 (0.41) KMT2AL3MBTL1RAB9ASMN1; SMN2NPC1
SCHEMBL2872108 0.71 MAOB (0.51) HSD11B1MAPTL3MBTL1RAB9ASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8598176-B2 Pyridazine compound and use thereof SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2013-12-03 US disclosed
US-8258136-B2 Pyridazine compound and use thereof SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-09-04 US disclosed
US-8258136-B2 Pyridazine compound and use thereof SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-09-04 US disclosed
US-8258136-B2 Pyridazine compound and use thereof SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-09-04 US disclosed
CN-101326176-B Pyridazine compound and use thereof SUMITOMO CHEMICAL CO 2012-05-30 CN disclosed
US-20120083605-A1 PYRIDAZINE COMPOUND AND USE THEREOF SUMITOMO CHEMICAL COMPANY, LIMITED 2012-04-05 US disclosed
US-20120083605-A1 PYRIDAZINE COMPOUND AND USE THEREOF SUMITOMO CHEMICAL COMPANY, LIMITED 2012-04-05 US disclosed
US-20120083605-A1 PYRIDAZINE COMPOUND AND USE THEREOF SUMITOMO CHEMICAL COMPANY, LIMITED 2012-04-05 US disclosed
EP-1958946-B1 PYRIDAZINE COMPOUND AND USE THEREOF SUMITOMO CHEMICAL CO (JP) 2011-02-23 EP disclosed
US-20090275589-A1 Pyridazine Compound and Use Thereof SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2009-11-05 US disclosed
US-20090275589-A1 Pyridazine Compound and Use Thereof SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2009-11-05 US disclosed
CN-101326176-A Pyridazine compound and use thereof SUMITOMO CHEMICAL CO (JP) 2008-12-17 CN disclosed
EP-1958946-A1 PYRIDAZINE COMPOUND AND USE THEREOF Sumitomo Chemical Company, Limited (JP) 2008-08-20 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 (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-20120083605-A1 PYRIDAZINE COMPOUND AND USE THEREOF PLPBP, PNPO, PDXK TGFBR1 3158/4885CCR1 4416/4885CCR8 4546/4885
US-20090275589-A1 Pyridazine Compound and Use Thereof PLPBP, PNPO, PDXK TGFBR1 3158/4885CCR1 4416/4885CCR8 4546/4885

“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.