SCHEMBL16722630

SCHEMBL16722630

O=CNCc1ncc(Br)cc1Cl

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PLAU P00749 1/20 0.36
▸ MEN1 O00255 2/20 0.32
▸ KMT2A Q03164 2/20 0.32
▸ ADH1B P00325 1/20 0.32
▸ ADH1C P00326 1/20 0.32
▸ ADH1A P07327 1/20 0.32
▸ ADH7 P40394 1/20 0.32
▸ GRM2 Q14416 1/20 0.32
▸ GRM3 Q14832 1/20 0.32
▸ CYP1A2 P05177 1/20 0.32
▸ CYP3A4 P08684 1/20 0.32
▸ CYP2D6 P10635 1/20 0.32
▸ CYP2C9 P11712 1/20 0.32
▸ CYP2C19 P33261 1/20 0.32
▸ MAPT P10636 2/20 0.31
▸ HPGD P15428 1/20 0.31
▸ GFER P55789 1/20 0.31
▸ HIF1A Q16665 1/20 0.31
▸ AURKA O14965 1/20 0.31
▸ DAPK3 O43293 1/20 0.31

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
SCHEMBL18379215 0.83 KMT2A (0.38) MEN1KMT2AADH1BADH1CADH1A
SCHEMBL22230303 0.80 ADH1B (0.32) ADH1BADH1CADH1AADH7AURKA
SCHEMBL14331014 0.79 PLAU (0.40) PLAUMEN1KMT2ACYP1A2CYP3A4
SCHEMBL18379038 0.77 PLAU (0.36) PLAUADH1BADH1CADH1AADH7
SCHEMBL18378990 0.76 TDP1 (0.50) MEN1KMT2ACYP1A2CYP3A4CYP2D6
SCHEMBL30990318 0.76 HCAR2 (0.38) PLAUMEN1KMT2AALDH1A1
SCHEMBL16793840 0.75 NPC1 (0.39) PLAUMEN1KMT2ACYP1A2CYP3A4
SCHEMBL31481925 0.73 GPR35 (0.38) PLAUMEN1KMT2ACYP1A2CYP3A4
SCHEMBL30648735 0.72 PLAU (0.43) PLAUMEN1KMT2ACYP1A2CYP3A4
SCHEMBL29159933 0.72 PLAU (0.43) PLAUMEN1KMT2ACYP1A2CYP3A4

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
WO-2025067111-A1 MENIN-MLL INTERACTION INHIBITOR AND PREPARATION METHOD THEREFOR, AND APPLICATION 苏州必扬医药科技有限公司 2025-04-03 — — WO 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
EP-3068784-A1 SUBSTITUTED 4,5,6,7-TETRAHYDROPYRAZOLO[1,5-A]PYRAZINE DERIVATIVES AS CASEIN KINASE 1 D/E INHIBITORS Bristol-Myers Squibb Company (US) 2016-09-21 — — EP 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
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

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-20160311824-A1 SUBSTITUTED 4,5,6,7-TETRAHYDROPYRAZOLO[1,5-A]PYRAZINE DERIVATIVES AS CASEIN KINASE 1 D/E INHIBITORS CSNK1A1, CSNK1E, CSNK1G1 PLAU 2058/4885MEN1 3496/4885KMT2A 2175/4885

“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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