Sugi Predict

Sugi Predict / Compounds / SCHEMBL360235

SCHEMBL360235

SCHEMBL360235

N#CCc1ccncc1Br

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TNF P01375 1/20 0.37
▸ PARP1 P09874 1/20 0.36
▸ AXL P30530 1/20 0.36
▸ CSNK2A1 P68400 5/20 0.36
▸ AOC1 P19801 4/20 0.35
▸ AOC3 Q16853 4/20 0.35
▸ CA12 O43570 1/20 0.35
▸ CA1 P00915 1/20 0.35
▸ CA2 P00918 1/20 0.35
▸ CA9 Q16790 1/20 0.35
▸ CA14 Q9ULX7 1/20 0.35
▸ LOXL2 Q9Y4K0 1/20 0.34
▸ KMT2A Q03164 1/20 0.32
▸ CCNC P24863 1/20 0.32
▸ CDK8 P49336 1/20 0.32
▸ GPBAR1 Q8TDU6 1/20 0.31
▸ CYP2E1 P05181 1/20 0.31
▸ CYP2C8 P10632 1/20 0.31
▸ CYP2D6 P10635 1/20 0.31
▸ CYP2A6 P11509 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
SCHEMBL37676938 0.81 TNF (0.40) TNFAOC1AOC3CA12CA1
SCHEMBL3670639 0.81 TNF (0.40) TNFAOC1AOC3CA12CA1
SCHEMBL29215547 0.76 GAA (0.42) TNFCSNK2A1AOC1AOC3CA12
SCHEMBL30915721 0.76 GAA (0.42) TNFCSNK2A1AOC1AOC3CA12
SCHEMBL10526908 0.76 HTT (0.42) TNFAOC1AOC3LOXL2KMT2A
SCHEMBL31456366 0.76 AOC1 (0.39) TNFAOC1AOC3LOXL2GPBAR1
SCHEMBL31356313 0.76 TNF (0.37) TNFAOC1AOC3CA12CA1
SCHEMBL23674611 0.74 CCNC (0.44) TNFAOC1AOC3CA12CA1
SCHEMBL11940513 0.74 TNF (0.36) TNFAOC1AOC3CA12CA1
SCHEMBL11940514 0.74 TNF (0.36) TNFAOC1AOC3CA12CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230416262-A1 TRPML MODULATORS CASMA THERAPEUTICS, INC. 2023-12-28 — — US disclosed
EP-3601284-B1 NAPHTHYRIDINES AS INHIBITORS OF HPK1 HOFFMANN LA ROCHE (CH) 2023-12-27 — — EP disclosed
US-20230303573-A1 3-((Hetero-)Aryl)-8-Amino-2-Oxo-1,3-Diaza-Spiro-[4.5]-Decane Derivatives Grünenthal GmbH (DE) 2023-09-28 — — US disclosed
EP-4192957-A2 TRPML MODULATORS Casma Therapeutics, Inc. (US) 2023-06-14 — — EP disclosed
CN-116113698-A TRPML modulators 卡斯玛治疗公司 2023-05-12 — — CN disclosed
CN-110678466-B Diazanaphthalenes as HPK1 inhibitors 豪夫迈·罗氏有限公司 2023-01-31 — — CN disclosed
CN-114149413-A 3- ((hetero) aryl) -8-amino-2-oxo-1, 3-aza-spiro- [4.5] -decane derivatives 格吕伦塔尔有限公司 2022-03-08 — — CN disclosed
WO-2022032073-A2 TRPML MODULATORS CASMA THERAPEUTICS, INC. (US) 2022-02-10 — — WO disclosed
CN-108699006-B 3- ((hetero-) aryl) -8-amino-2-oxo-1, 3-aza-spiro- [4.5] -decane derivative 格吕伦塔尔有限公司 2021-11-05 — — CN disclosed
US-20210188860-A1 3-((Hetero-)Aryl)-8-Amino-2-Oxo-1,3-Diaza-Spiro-[4.5]-Decane Derivatives Grünenthal GmbH (DE) 2021-06-24 — — US disclosed
WO-2018183956-A1 NAPHTHYRIDINES AS INHIBITORS OF HPK1 GENENTECH, INC. (US) 2018-10-04 — — WO disclosed
US-20180201616-A1 3-((Hetero-)Aryl)-8-Amino-2-Oxo-1,3-Diaza-Spiro-[4.5]-Decane Derivatives GRUENENTHAL GMBH (DE) 2018-07-19 — — US disclosed
WO-2017121647-A1 3-((HETERO-)ARYL)-8-AMINO-2-OXO-1,3-DIAZA-SPIRO-[4.5]-DECANE DERIVATIVES Grünenthal GmbH (DE) 2017-07-20 — — WO disclosed
US-20170197970-A1 3-((Hetero-)Aryl)-8-Amino-2-Oxo-1,3-Diaza-Spiro-[4.5]-Decane Derivatives GRUENENTHAL GMBH (DE) 2017-07-13 — — US disclosed
EP-2593453-B1 AZAINDAZOLE COMPOUNDS BRISTOL MYERS SQUIBB CO (US) 2014-09-17 — — EP disclosed
US-8673922-B2 Azaindazole compounds BRISTOL-MYERS SQUIBB COMPANY (US) 2014-03-18 — — US disclosed
US-20130184254-A1 AZAINDAZOLE COMPOUNDS BRISTOL-MYERS SQUIBB COMPANY 2013-07-18 — — US disclosed
CN-103140490-A Azaindazole compounds BRISTOL MYERS SQUIBB CO 2013-06-05 — — CN disclosed
EP-2593453-A1 AZAINDAZOLE COMPOUNDS Bristol-Myers Squibb Company (US) 2013-05-22 — — EP disclosed
WO-2012009510-A1 AZAINDAZOLE COMPOUNDS BRISTOL-MYERS SQUIBB COMPANY (US) 2012-01-19 — — 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 (6 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-20170197970-A1 3-((Hetero-)Aryl)-8-Amino-2-Oxo-1,3-Diaza-Spiro-[4.5]-Decane Derivatives OPRK1, OPRD1, OPRL1 TNF 3671/4885PARP1 782/4885AXL 4085/4885
US-20130184254-A1 AZAINDAZOLE COMPOUNDS CYP3A4, CYP4B1, CYP3A43 TNF 4763/4885PARP1 2144/4885AXL 3948/4885
US-20230303573-A1 3-((Hetero-)Aryl)-8-Amino-2-Oxo-1,3-Diaza-Spiro-[4.5]-Decane Derivatives OPRK1, OPRD1, OPRL1 TNF 3671/4885PARP1 782/4885AXL 4085/4885
US-20180201616-A1 3-((Hetero-)Aryl)-8-Amino-2-Oxo-1,3-Diaza-Spiro-[4.5]-Decane Derivatives OPRK1, OPRD1, OPRL1 TNF 3671/4885PARP1 782/4885AXL 4085/4885
US-20230416262-A1 TRPML MODULATORS TRPM2, TRPM4, TRPM5 TNF 4750/4885PARP1 3962/4885AXL 2873/4885
US-20210188860-A1 3-((Hetero-)Aryl)-8-Amino-2-Oxo-1,3-Diaza-Spiro-[4.5]-Decane Derivatives OPRK1, OPRD1, OPRL1 TNF 3671/4885PARP1 782/4885AXL 4085/4885

“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.