Sugi Predict

Sugi Predict / Compounds / SCHEMBL4647035

SCHEMBL4647035

SCHEMBL4647035

Cc1nc(Cl)c(N)c(-c2ccccc2)n1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 4/20 0.59
▸ LMNA P02545 4/20 0.59
▸ HPGD P15428 2/20 0.59
▸ ALDH1A1 P00352 2/20 0.59
▸ GLA P06280 1/20 0.59
▸ SMN1; SMN2 Q16637 1/20 0.59
▸ HTT P42858 2/20 0.57
▸ MEN1 O00255 1/20 0.57
▸ KMT2A Q03164 1/20 0.57
▸ PKM P14618 1/20 0.47
▸ L3MBTL1 Q9Y468 4/20 0.47
▸ XDH P47989 2/20 0.46
▸ TDP1 Q9NUW8 2/20 0.44
▸ MAPT P10636 2/20 0.44
▸ CYP1A2 P05177 1/20 0.44
▸ CYP2C9 P11712 1/20 0.44
▸ CYP2C19 P33261 1/20 0.44
▸ ADORA2A P29274 6/20 0.43
▸ ADORA1 P30542 6/20 0.43
▸ GAA P10253 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
SCHEMBL1888076 0.83 ALDH1A1 (0.50) KDM4ELMNAHPGDALDH1A1SMN1; SMN2
SCHEMBL26708031 0.82 KDM4E (0.61) KDM4ELMNAHPGDALDH1A1GLA
SCHEMBL603548 0.82 KDM4E (0.48) KDM4ELMNAHPGDALDH1A1GLA
SCHEMBL3291913 0.80 KMT2A (0.81) KDM4ELMNAHPGDALDH1A1GLA
SCHEMBL23009767 0.76 L3MBTL1 (0.56) KDM4EHPGDALDH1A1SMN1; SMN2HTT
SCHEMBL6033480 0.76 ALDH1A1 (0.46) LMNAALDH1A1HTTMEN1KMT2A
SCHEMBL4643319 0.76 KDM4E (0.46) KDM4ELMNAHPGDALDH1A1GLA
SCHEMBL5211515 0.75 KDM4E (0.60) KDM4ELMNAHPGDALDH1A1GLA
SCHEMBL112929 0.75 HTT (0.46) KDM4ELMNAHPGDALDH1A1GLA
SCHEMBL31504610 0.74 L3MBTL1 (0.54) KDM4ELMNAHPGDALDH1A1SMN1; 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 26 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3122346-B1 TRKA KINASE INHIBITORS, COMPOSITIONS AND METHODS THEREOF MERCK SHARP & DOHME (US) 2020-07-15 — — EP disclosed
EP-3122346-B1 TRKA KINASE INHIBITORS, COMPOSITIONS AND METHODS THEREOF MERCK SHARP & DOHME (US) 2020-07-15 — — EP disclosed
US-9815846-B2 TrkA kinase inhibitors, compositions and methods thereof MERCK SHARP & DOHME CORP. (US) 2017-11-14 — — US disclosed
US-9815846-B2 TrkA kinase inhibitors, compositions and methods thereof MERCK SHARP & DOHME CORP. (US) 2017-11-14 — — US disclosed
US-9815846-B2 TrkA kinase inhibitors, compositions and methods thereof MERCK SHARP & DOHME CORP. (US) 2017-11-14 — — US disclosed
CN-106794161-A TrkA kinase inhibitors, composition and its method 默沙东公司 2017-05-31 — — CN disclosed
US-20170114071-A1 TRKA KINASE INHIBITORS, COMPOSITIONS AND METHODS THEREOF MERCK SHARP & DOHME CORP. (US) 2017-04-27 — — US disclosed
US-20170114071-A1 TRKA KINASE INHIBITORS, COMPOSITIONS AND METHODS THEREOF MERCK SHARP & DOHME CORP. (US) 2017-04-27 — — US disclosed
US-20170114071-A1 TRKA KINASE INHIBITORS, COMPOSITIONS AND METHODS THEREOF MERCK SHARP & DOHME CORP. (US) 2017-04-27 — — US disclosed
EP-3122346-A2 TRKA KINASE INHIBITORS, COMPOSITIONS AND METHODS THEREOF Merck Sharp & Dohme Corp. (US) 2017-02-01 — — EP disclosed
US-8288398-B2 Antiproliferative pyrimidyl, fused pyrimidyl and pyrimidyl hydrazones MERCK SERONO SA (CH) 2012-10-16 — — US disclosed
US-20120238575-A1 ANTIPROLIFERATIVE PYRIMIDYL, FUSED PYRIMIDYL AND PYRIMIDYL HYDRAZONES MERCK SERONO SA (CH) 2012-09-20 — — US disclosed
US-20120238575-A1 ANTIPROLIFERATIVE PYRIMIDYL, FUSED PYRIMIDYL AND PYRIMIDYL HYDRAZONES MERCK SERONO SA (CH) 2012-09-20 — — US disclosed
US-20120238575-A1 ANTIPROLIFERATIVE PYRIMIDYL, FUSED PYRIMIDYL AND PYRIMIDYL HYDRAZONES MERCK SERONO SA (CH) 2012-09-20 — — US disclosed
US-20080287474-A1 Antiproliferative Pyrimidyl, Fused Pyrimidyl and Pyrimidyl Hydrazones LABORATOIRES SERONO SA (CH) 2008-11-20 — — US disclosed
US-20080287474-A1 Antiproliferative Pyrimidyl, Fused Pyrimidyl and Pyrimidyl Hydrazones LABORATOIRES SERONO SA (CH) 2008-11-20 — — US disclosed
US-20080287474-A1 Antiproliferative Pyrimidyl, Fused Pyrimidyl and Pyrimidyl Hydrazones LABORATOIRES SERONO SA (CH) 2008-11-20 — — US disclosed
EP-1957469-A1 ANTIPROLIFERATIVE PYRIMIDYL, FUSED PYRIMIDYL AND PYRIMIDYL HYDRAZONES Laboratoires Serono SA (CH) 2008-08-20 — — EP disclosed
WO-2007065940-A1 ANTIPROLIFERATIVE PYRIMIDYL, FUSED PYRIMIDYL AND PYRIMIDYL HYDRAZONES LABORATOIRES SERONO S.A. (CH) 2007-06-14 — — WO disclosed
WO-2007065940-A1 ANTIPROLIFERATIVE PYRIMIDYL, FUSED PYRIMIDYL AND PYRIMIDYL HYDRAZONES LABORATOIRES SERONO S.A. (CH) 2007-06-14 — — 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 (3 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-20080287474-A1 Antiproliferative Pyrimidyl, Fused Pyrimidyl and Pyrimidyl Hydrazones TYMP, DHFR, DPYD KDM4E 3687/4885LMNA 3685/4885HPGD 353/4885
US-20170114071-A1 TRKA KINASE INHIBITORS, COMPOSITIONS AND METHODS THEREOF NGFR, NGF, NTRK1 KDM4E 3594/4885LMNA 1566/4885HPGD 3757/4885
US-20120238575-A1 ANTIPROLIFERATIVE PYRIMIDYL, FUSED PYRIMIDYL AND PYRIMIDYL HYDRAZONES TYMP, DHFR, DPYD KDM4E 3687/4885LMNA 3685/4885HPGD 353/4885

“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.