SCHEMBL9934606

SCHEMBL9934606

O=[C]c1cccn2cnnc12

nearest known ligand 0.35

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.35
KDM4E B2RXH2 1/20 0.30
MEN1 O00255 1/20 0.30
CYP1A2 P05177 1/20 0.30
ALPG P10696 1/20 0.30
KMT2A Q03164 1/20 0.30
HSD17B10 Q99714 1/20 0.30

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
SCHEMBL26910348 0.81 POLB (0.32) POLBKDM4EMEN1CYP1A2ALPG
SCHEMBL31466725 0.81 CYP19A1 (0.36) POLBKDM4EMEN1CYP1A2ALPG
SCHEMBL19438287 0.72 POLB (0.35) POLBKDM4EMEN1CYP1A2ALPG
SCHEMBL3112689 0.72 NUDT1 (0.41)
SCHEMBL2661787 0.71 PARP15 (0.35) POLBKDM4EMEN1CYP1A2ALPG
SCHEMBL20689186 0.71 DHFR (0.36) POLBKDM4EMEN1CYP1A2ALPG
SCHEMBL6468439 0.70 TP53 (0.40) POLBMEN1CYP1A2KMT2A
SCHEMBL21067148 0.70 MEN1 (0.38) POLBKDM4EMEN1CYP1A2ALPG
SCHEMBL9935403 0.70 POLB (0.35) POLBKDM4EMEN1CYP1A2ALPG
SCHEMBL9936556 0.70 HTT (0.35) KDM4EHSD17B10

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 36 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106957317-B Novel pyrazole derivatives 持田制药株式会社 2019-12-31 CN disclosed
US-9777000-B2 Pyrazole derivative MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2017-10-03 US disclosed
US-20160347751-A1 NOVEL PYRAZOLE DERIVATIVE MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2016-12-01 US disclosed
US-9458157-B2 Pyrazole derivative MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2016-10-04 US disclosed
US-9453015-B2 Pyrazole derivative MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2016-09-27 US disclosed
US-9440970-B2 Pyrazole derivative MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2016-09-13 US disclosed
EP-2963037-A1 NOVEL PYRAZOLE DERIVATIVE Mochida Pharmaceutical Co., Ltd. (JP) 2016-01-06 EP disclosed
US-20150266839-A1 CYCLIC AMIDE DERIVATIVE MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2015-09-24 US disclosed
US-20150225392-A1 CYCLIC AMIDE DERIVATIVE MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2015-08-13 US disclosed
US-9072758-B2 Cyclic amide derivative MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2015-07-07 US disclosed
US-20130203739-A1 CYCLIC AMIDE DERIVATIVE MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2013-08-08 US disclosed
US-8476287-B2 3-hydroxy-5-arylisothiazole derivative MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2013-07-02 US disclosed
US-8455500-B2 3-hydroxy-5-arylisoxazole derivative MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2013-06-04 US disclosed
US-20130029978-A1 NOVEL ARYL UREA DERIVATIVE MOCHIDA PHARMACEUTICAL CO., LTD. 2013-01-31 US disclosed
US-20120277150-A1 NOVEL 3-HYDROXYISOTHIAZOLE 1-OXIDE DERIVATIVE MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2012-11-01 US disclosed
EP-2518060-A1 NOVEL 3-HYDROXY-5-ARYLISOTHIAZOLE DERIVATIVE Mochida Pharmaceutical Co., Ltd. (JP) 2012-10-31 EP disclosed
EP-2518064-A1 NOVEL ARYL UREA DERIVATIVE Mochida Pharmaceutical Co., Ltd. (JP) 2012-10-31 EP disclosed
EP-2495238-A1 NOVEL 3-HYDROXY-5-ARYLISOXAZOLE DERIVATIVE Mochida Pharmaceutical Co., Ltd. (JP) 2012-09-05 EP disclosed
US-20120220772-A1 NOVEL 3-HYDROXY-5-ARYLISOXAZOLE DERIVATIVE MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2012-08-30 US disclosed
US-20120157459-A1 NOVEL 3-HYDROXY-5-ARYLISOTHIAZOLE DERIVATIVE MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2012-06-21 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 (8 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-20130029978-A1 NOVEL ARYL UREA DERIVATIVE FAAH, FAAH2, NAT1 POLB 3138/4885KDM4E 2351/4885MEN1 4838/4885
US-20150266839-A1 CYCLIC AMIDE DERIVATIVE GPR119, NR0B1, NR4A1 POLB 4232/4885KDM4E 2196/4885MEN1 3041/4885
US-20150225392-A1 CYCLIC AMIDE DERIVATIVE GPR119, NR0B1, NR2C2 POLB 4263/4885KDM4E 2989/4885MEN1 2623/4885
US-20160347751-A1 NOVEL PYRAZOLE DERIVATIVE PDE10A, PDE3A, PDE5A POLB 1586/4885KDM4E 1309/4885MEN1 4110/4885
US-20120157459-A1 NOVEL 3-HYDROXY-5-ARYLISOTHIAZOLE DERIVATIVE GPR119, GPR27, NR0B1 POLB 4698/4885KDM4E 2641/4885MEN1 3552/4885
US-20120220772-A1 NOVEL 3-HYDROXY-5-ARYLISOXAZOLE DERIVATIVE GPR119, GPR27, NR0B1 POLB 4532/4885KDM4E 2811/4885MEN1 3735/4885
US-20120277150-A1 NOVEL 3-HYDROXYISOTHIAZOLE 1-OXIDE DERIVATIVE GPR119, GPR27, GPR65 POLB 4734/4885KDM4E 3604/4885MEN1 3672/4885
US-20130203739-A1 CYCLIC AMIDE DERIVATIVE GPR119, NR0B1, NR2C2 POLB 4340/4885KDM4E 2927/4885MEN1 2568/4885

“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.