SCHEMBL18603240

SCHEMBL18603240

Cc1c2c(Cl)nc(Cl)cc2nn1C

nearest known ligand 0.35

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ ADCY10 Q96PN6 5/20 0.35
▸ NMT1 P30419 1/20 0.33
▸ HTT P42858 1/20 0.32
▸ CHRM4 P08173 4/20 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
SCHEMBL18622401 0.85 ALDH1A1 (0.34) NMT1HTTCHRM4
SCHEMBL21171659 0.84 ADCY10 (0.36) ADCY10NMT1HTTCHRM4
SCHEMBL21171808 0.82 NMT1 (0.35) ADCY10NMT1HTTCHRM4
SCHEMBL18646449 0.78 ADCY10 (0.32) ADCY10NMT1
SCHEMBL23116058 0.70 ADORA2A (0.42) NMT1HTT
SCHEMBL13106183 0.70 HSD11B1 (0.37) ADCY10NMT1CHRM4
SCHEMBL24001986 0.67 KDM4E (0.37) HTT
SCHEMBL13106181 0.65 CHRM4 (0.35) NMT1HTTCHRM4
SCHEMBL31537424 0.65 — —
SCHEMBL13106159 0.64 PARP1 (0.41) CHRM4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108026080-B Pyrazolyl-substituted heteroaryl compounds and their use as medicaments 勃林格殷格翰国际有限公司 2021-06-11 — — CN disclosed
EP-3347353-B1 PYRAZOLYL-SUBSTITUTED HETEROARYLS AND THEIR USE AS MEDICAMENTS BOEHRINGER INGELHEIM INT (DE) 2019-07-17 — — EP disclosed
EP-3347353-B1 PYRAZOLYL-SUBSTITUTED HETEROARYLS AND THEIR USE AS MEDICAMENTS BOEHRINGER INGELHEIM INT (DE) 2019-07-17 — — EP disclosed
US-10155751-B2 Pyrazolyl-substituted heteroaryls and their use as medicaments BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2018-12-18 — — US disclosed
EP-3347353-A1 PYRAZOLYL-SUBSTITUTED HETEROARYLS AND THEIR USE AS MEDICAMENTS Boehringer Ingelheim International GmbH (DE) 2018-07-18 — — EP disclosed
US-20180148433-A1 New Pyrazolyl-substituted Heteroaryls and their use as Medicaments BOEHRINGER INGELHEIM INT (DE) 2018-05-31 — — US disclosed
US-20180148433-A1 New Pyrazolyl-substituted Heteroaryls and their use as Medicaments BOEHRINGER INGELHEIM INT (DE) 2018-05-31 — — US disclosed
US-20180148433-A1 New Pyrazolyl-substituted Heteroaryls and their use as Medicaments BOEHRINGER INGELHEIM INT (DE) 2018-05-31 — — US disclosed
US-9845314-B2 Pyrazolyl-substituted heteroaryls and their use as medicaments BOEHRNGER INGELHEIM INTERNATIONAL GMBH (DE) 2017-12-19 — — US disclosed
US-9845314-B2 Pyrazolyl-substituted heteroaryls and their use as medicaments BOEHRNGER INGELHEIM INTERNATIONAL GMBH (DE) 2017-12-19 — — US disclosed
US-9845314-B2 Pyrazolyl-substituted heteroaryls and their use as medicaments BOEHRNGER INGELHEIM INTERNATIONAL GMBH (DE) 2017-12-19 — — US disclosed
WO-2017042100-A1 PYRAZOLYL-SUBSTITUTED HETEROARYLS AND THEIR USE AS MEDICAMENTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2017-03-16 — — WO disclosed
WO-2017042100-A1 PYRAZOLYL-SUBSTITUTED HETEROARYLS AND THEIR USE AS MEDICAMENTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2017-03-16 — — WO disclosed
US-20170073333-A1 New Pyrazolyl-substituted Heteroaryls and their use as Medicaments BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2017-03-16 — — US disclosed
US-20170073333-A1 New Pyrazolyl-substituted Heteroaryls and their use as Medicaments BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2017-03-16 — — US disclosed
US-20170073333-A1 New Pyrazolyl-substituted Heteroaryls and their use as Medicaments BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2017-03-16 — — 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-10155751-B2 Pyrazolyl-substituted heteroaryls and their use as medicaments HRH4, HRH3, HRH1 ADCY10 2933/4885NMT1 3351/4885HTT 2971/4885
US-20180148433-A1 New Pyrazolyl-substituted Heteroaryls and their use as Medicaments HRH4, HRH2, HRH3 ADCY10 3233/4885NMT1 3631/4885HTT 3034/4885
US-20170073333-A1 New Pyrazolyl-substituted Heteroaryls and their use as Medicaments HRH4, HRH2, HRH3 ADCY10 3233/4885NMT1 3631/4885HTT 3034/4885

“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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