SCHEMBL1334274

SCHEMBL1334274

O=C(O)c1cnn(-c2ccccn2)c1Cl

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALKBH1 Q13686 1/20 0.52
HPGD P15428 2/20 0.49
NPC1 O15118 1/20 0.49
TP53 P04637 1/20 0.49
RAB9A P51151 1/20 0.49
ALKBH2 Q6NS38 1/20 0.49
EGLN1 Q9GZT9 1/20 0.49
SMN1; SMN2 Q16637 2/20 0.44
LMNA P02545 2/20 0.44
KDM4E B2RXH2 3/20 0.43
PKM P14618 1/20 0.43
L3MBTL1 Q9Y468 2/20 0.42
NR4A3 Q92570 1/20 0.42
POLB P06746 1/20 0.42
MAPT P10636 1/20 0.42
KEAP1 Q14145 1/20 0.41
NFE2L2 Q16236 1/20 0.41
FFAR4 Q5NUL3 2/20 0.41
MARS1 P56192 1/20 0.41
ALDH1A1 P00352 1/20 0.41

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
SCHEMBL9601990 0.84 NPC1 (0.55) ALKBH1HPGDNPC1TP53RAB9A
SCHEMBL10365007 0.83 NPC1 (0.48) HPGDNPC1TP53RAB9AALKBH2
SCHEMBL3517338 0.82 NPC1 (0.55) HPGDNPC1TP53RAB9AALKBH2
SCHEMBL10366780 0.82 NPC1 (0.66) HPGDNPC1TP53RAB9AALKBH2
SCHEMBL3719700 0.81 ALKBH1 (0.60) ALKBH1RAB9AEGLN1SMN1; SMN2LMNA
SCHEMBL28768735 0.81 ALKBH1 (0.45) ALKBH1SMN1; SMN2LMNAKDM4EL3MBTL1
SCHEMBL27700949 0.81 ALKBH1 (0.45) ALKBH1NPC1RAB9ASMN1; SMN2LMNA
SCHEMBL28764873 0.80 ALKBH1 (0.47) ALKBH1NPC1TP53RAB9AEGLN1
SCHEMBL27681341 0.80 ALKBH1 (0.44) ALKBH1SMN1; SMN2LMNAKDM4EL3MBTL1
SCHEMBL1334825 0.80 HPGD (0.74) HPGDNPC1TP53RAB9ASMN1; 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 17 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8389509-B2 Substituted pyrazole compounds BRISTOL-MYERS SQUIBB COMPANY (US) 2013-03-05 US disclosed
US-8389509-B2 Substituted pyrazole compounds BRISTOL-MYERS SQUIBB COMPANY (US) 2013-03-05 US disclosed
US-8389509-B2 Substituted pyrazole compounds BRISTOL-MYERS SQUIBB COMPANY (US) 2013-03-05 US disclosed
EP-2382211-B1 PYRAZOLE-I, 2, 4 -OXAD IAZOLE DERIVATIVES AS S.PHING0SINE-1-PH0SPHATE AGONISTS BRISTOL MYERS SQUIBB CO (US) 2012-12-19 EP disclosed
EP-2382211-B1 PYRAZOLE-I, 2, 4 -OXAD IAZOLE DERIVATIVES AS S.PHING0SINE-1-PH0SPHATE AGONISTS BRISTOL MYERS SQUIBB CO (US) 2012-12-19 EP disclosed
CN-102361868-A Pyrazole-i, 2, 4 -oxad iazole derivatives as s.phing0sine-1-ph0sphate agonists BRISTOL MYERS SQUIBB CO 2012-02-22 CN disclosed
US-20110275610-A1 SUBSTITUTED PYRAZOLE COMPOUNDS BRISTOL-MYERS SQUIBB COMPANY 2011-11-10 US disclosed
US-20110275610-A1 SUBSTITUTED PYRAZOLE COMPOUNDS BRISTOL-MYERS SQUIBB COMPANY 2011-11-10 US disclosed
US-20110275610-A1 SUBSTITUTED PYRAZOLE COMPOUNDS BRISTOL-MYERS SQUIBB COMPANY 2011-11-10 US disclosed
EP-2382211-A1 PYRAZOLE-I, 2, 4 -OXAD IAZOLE DERIVATIVES AS S.PHING0SINE-1-PH0SPHATE AGONISTS Bristol-Myers Squibb Company (US) 2011-11-02 EP disclosed
WO-2010085584-A1 PYRAZOLE-I, 2, 4 -OXAD IAZOLE DERIVATIVES AS S.PHING0SINE-1-PH0SPHATE AGONISTS BRISTOL-MYERS SQUIBB COMPANY (US) 2010-07-29 WO disclosed
WO-2010085584-A1 PYRAZOLE-I, 2, 4 -OXAD IAZOLE DERIVATIVES AS S.PHING0SINE-1-PH0SPHATE AGONISTS BRISTOL-MYERS SQUIBB COMPANY (US) 2010-07-29 WO disclosed
EP-0151867-B1 CYANOPYRAZOLE HERBICIDES ELI LILLY AND COMPANY (US) 1990-01-10 EP disclosed
US-4631343-A Cyanopyrazole intermediates ELI LILLY AND COMPANY (US) 1986-12-23 US disclosed
CN-86100911-A The preparation method of pyrazoles sulfone amide derivative and the weedicide that contains this kind derivative 1986-09-24 CN disclosed
US-4589905-A TERRESTRIAL AND AQUATIC APPLICATIONS ELI LILLY AND COMPANY (US) 1986-05-20 US disclosed
EP-0151867-A2 Cyanopyrazole herbicides ELI LILLY AND COMPANY (US) 1985-08-21 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-20110275610-A1 SUBSTITUTED PYRAZOLE COMPOUNDS S1PR3, S1PR1, S1PR4 ALKBH1 4410/4885HPGD 2466/4885NPC1 479/4885

“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.