SCHEMBL13106253

SCHEMBL13106253

Cc1nn(C)c2c(Cl)cc(Br)cc12

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ NMT1 P30419 4/20 0.49
▸ ADORA2A P29274 2/20 0.42
▸ ADORA2B P29275 2/20 0.42
▸ MAPK8 P45983 2/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.35
▸ MEN1 O00255 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ LMNA P02545 1/20 0.33
▸ TSHR P16473 1/20 0.33
▸ MAPK1 P28482 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ GALR3 O60755 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ HTT P42858 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ CASP3 P42574 1/20 0.33
▸ MAPK9 P45984 1/20 0.33
▸ NPC1 O15118 1/20 0.32
▸ RAB9A P51151 1/20 0.32

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
SCHEMBL13106267 0.87 ADORA2A (0.44) NMT1ADORA2AADORA2BMAPK8L3MBTL1
SCHEMBL13106312 0.83 ADORA2A (0.44) NMT1ADORA2AADORA2BMAPK8MEN1
SCHEMBL13106308 0.80 ADORA2A (0.41) NMT1ADORA2AADORA2BMAPK8L3MBTL1
SCHEMBL13106360 0.80 MAPK8 (0.36) NMT1MAPK8MAPK9
SCHEMBL13106248 0.78 ADORA2A (0.42) NMT1ADORA2AADORA2BMAPK8L3MBTL1
SCHEMBL31647289 0.77 NMT1 (0.37) NMT1MAPK8MEN1KMT2ATSHR
SCHEMBL13106251 0.73 NMT1 (0.48) NMT1ADORA2AADORA2BL3MBTL1LMNA
SCHEMBL13106325 0.72 ADORA2A (0.44) NMT1ADORA2AADORA2BMAPK8L3MBTL1
SCHEMBL22437141 0.72 ADORA2A (0.39) NMT1ADORA2AADORA2BMAPK8MAPK9
SCHEMBL13106244 0.72 SSTR4 (0.40) ADORA2AADORA2BL3MBTL1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230278998-A1 Compound containing structure of a five-membered heteroaromatic ring, pharmaceutical compositions thereof and applications thereof 280 BIO, INC. (US) 2023-09-07 — — US disclosed
US-9598423-B2 Substituted 4,5,6,7-tetrahydropyrazolo[1,5-A]pyrazine derivatives as casein kinase 1 D/E inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2017-03-21 — — US disclosed
US-9598423-B2 Substituted 4,5,6,7-tetrahydropyrazolo[1,5-A]pyrazine derivatives as casein kinase 1 D/E inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2017-03-21 — — US disclosed
US-9598423-B2 Substituted 4,5,6,7-tetrahydropyrazolo[1,5-A]pyrazine derivatives as casein kinase 1 D/E inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2017-03-21 — — US disclosed
US-20160311824-A1 SUBSTITUTED 4,5,6,7-TETRAHYDROPYRAZOLO[1,5-A]PYRAZINE DERIVATIVES AS CASEIN KINASE 1 D/E INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2016-10-27 — — US disclosed
US-20160311824-A1 SUBSTITUTED 4,5,6,7-TETRAHYDROPYRAZOLO[1,5-A]PYRAZINE DERIVATIVES AS CASEIN KINASE 1 D/E INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2016-10-27 — — US disclosed
US-20160311824-A1 SUBSTITUTED 4,5,6,7-TETRAHYDROPYRAZOLO[1,5-A]PYRAZINE DERIVATIVES AS CASEIN KINASE 1 D/E INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2016-10-27 — — US disclosed
WO-2015073767-A1 SUBSTITUTED 4,5,6,7-TETRAHYDROPYRAZOLO[1,5-A]PYRAZINE DERIVATIVES AS CASEIN KINASE 1 D/E INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2015-05-21 — — WO disclosed
US-7812045-B2 Antifungal triazole derivatives DAEWOONG PHARMACEUTICAL CO., LTD. (KR) 2010-10-12 — — US disclosed
US-20080194661-A1 Antifungal Triazole Derivatives DAEWOONG PHARMACEUTICAL CO., LTD. (KR) 2008-08-14 — — 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 (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-20080194661-A1 Antifungal Triazole Derivatives ERG28, CYP51A1, CYP3A43 NMT1 1546/4885ADORA2A 3466/4885ADORA2B 3798/4885
US-20160311824-A1 SUBSTITUTED 4,5,6,7-TETRAHYDROPYRAZOLO[1,5-A]PYRAZINE DERIVATIVES AS CASEIN KINASE 1 D/E INHIBITORS CSNK1A1, CSNK1E, CSNK1G1 NMT1 4559/4885ADORA2A 3992/4885ADORA2B 4442/4885
US-20230278998-A1 Compound containing structure of a five-membered heteroaromatic ring, pharmaceutical compositions thereof and applications thereof PARG, CYP3A5, CYP11B1 NMT1 2291/4885ADORA2A 694/4885ADORA2B 563/4885

“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.

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