Sugi Predict

Sugi Predict / Compounds / SCHEMBL4100807

SCHEMBL4100807

SCHEMBL4100807

COc1ccc(Cn2cc(N)c(C(N)=O)n2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.49
▸ GAA P10253 1/20 0.49
▸ AADAT Q8N5Z0 1/20 0.46
▸ PDE8B O95263 1/20 0.45
▸ NPC1 O15118 3/20 0.44
▸ RAB9A P51151 3/20 0.44
▸ L3MBTL1 Q9Y468 2/20 0.44
▸ ALOX15 P16050 1/20 0.44
▸ MEN1 O00255 2/20 0.43
▸ KMT2A Q03164 2/20 0.43
▸ CACNA1G O43497 2/20 0.43
▸ CACNA1H O95180 2/20 0.43
▸ CACNA1I Q9P0X4 2/20 0.43
▸ HDAC1 Q13547 1/20 0.42
▸ IKBKB O14920 1/20 0.42
▸ CMA1 P23946 1/20 0.42
▸ PTGS2 P35354 1/20 0.42
▸ CA1 P00915 1/20 0.41
▸ CA2 P00918 1/20 0.41
▸ PARP1 P09874 1/20 0.41

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
Hydrochloric Acid SCHEMBL4100850 0.99 ALDH1A1 (0.48) ALDH1A1GAAAADATPDE8BNPC1
SCHEMBL15652306 0.88 KDM4E (0.46) ALDH1A1GAAAADATNPC1RAB9A
SCHEMBL3583470 0.85 SMN1; SMN2 (0.51) ALDH1A1GAAAADATNPC1RAB9A
SCHEMBL4091300 0.81 DCTPP1 (0.47) ALDH1A1GAAAADATNPC1RAB9A
SCHEMBL7258447 0.80 MEN1 (0.47) ALDH1A1AADATNPC1RAB9AALOX15
SCHEMBL17459011 0.79 MEN1 (0.49) ALDH1A1GAAAADATNPC1RAB9A
SCHEMBL25027880 0.77 PTGS2 (0.45) ALDH1A1AADATNPC1RAB9AALOX15
SCHEMBL899018 0.77 AADAT (0.45) GAAAADATNPC1RAB9AL3MBTL1
SCHEMBL369192 0.76 AADAT (0.44) GAAAADATNPC1RAB9AL3MBTL1
SCHEMBL25334568 0.76 NPC1 (0.54) ALDH1A1GAAAADATNPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090234117-A1 Pyrazolopyrimidine Derivative MITSUBISHI TANABE PHARMA CORPORATION (JP) 2009-09-17 — — US claimed
EP-1903045-A1 PYRAZOLOPYRIMIDINE DERIVATIVE Mitsubishi Tanabe Pharma Corporation (JP) 2008-03-26 — — EP claimed
US-20260078127-A1 HETEROBICYCLIC AMIDES AS INHIBITORS OF CD38 BOEHRINGER INGELHEIM INT (DE) 2026-03-19 — — US disclosed
US-12398146-B2 Heterobicyclic amides as inhibitors of CD38 BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2025-08-26 — — US disclosed
CN-119431323-A Heterobicyclic amides as CD38 inhibitors 贝林格尔·英格海姆国际有限公司 2025-02-14 — — CN disclosed
US-20240368167-A1 HETEROBICYCLIC AMIDES AS INHIBITORS OF CD38 BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2024-11-07 — — US disclosed
CN-114423753-B Heterobicyclic amides as CD38 inhibitors 里邦医疗公司 2024-09-17 — — CN disclosed
US-11987584-B2 Heterobicyclic amides as inhibitors of CD38 BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2024-05-21 — — US disclosed
US-20230312586-A1 HETEROBICYCLIC AMIDES AS INHIBITORS OF CD38 BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2023-10-05 — — US disclosed
US-11535621-B2 Heterobicyclic amides as inhibitors of CD38 RIBON THERAPEUTICS, INC. (US) 2022-12-27 — — US disclosed
EP-4003980-A1 HETEROBICYCLIC AMIDES AS INHIBITORS OF CD38 Ribon Therapeutics Inc. (US) 2022-06-01 — — EP disclosed
CN-114423753-A Heterobicyclic amides as CD38 inhibitors 里邦医疗公司 2022-04-29 — — CN disclosed
US-20210032251-A1 HETEROBICYCLIC AMIDES AS INHIBITORS OF CD38 BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2021-02-04 — — US disclosed
US-20090234117-A1 Pyrazolopyrimidine Derivative MITSUBISHI TANABE PHARMA CORPORATION (JP) 2009-09-17 — — US disclosed
EP-1903045-A1 PYRAZOLOPYRIMIDINE DERIVATIVE Mitsubishi Tanabe Pharma Corporation (JP) 2008-03-26 — — EP 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-20240368167-A1 HETEROBICYCLIC AMIDES AS INHIBITORS OF CD38 CD38, PARP12, ENTPD2 ALDH1A1 361/4885GAA 683/4885AADAT 952/4885
US-20210032251-A1 HETEROBICYCLIC AMIDES AS INHIBITORS OF CD38 CD38, PARP12, ENTPD2 ALDH1A1 361/4885GAA 683/4885AADAT 952/4885
US-12398146-B2 Heterobicyclic amides as inhibitors of CD38 CD38, PARP12, ENTPD2 ALDH1A1 361/4885GAA 683/4885AADAT 952/4885
US-20090234117-A1 Pyrazolopyrimidine Derivative MC2R, CRHR1, AVPR2 ALDH1A1 1328/4885GAA 4839/4885AADAT 1959/4885
US-20230312586-A1 HETEROBICYCLIC AMIDES AS INHIBITORS OF CD38 CD38, PARP12, ENTPD2 ALDH1A1 361/4885GAA 683/4885AADAT 952/4885
US-20260078127-A1 HETEROBICYCLIC AMIDES AS INHIBITORS OF CD38 CD38, CD22, CD79B ALDH1A1 877/4885GAA 3672/4885AADAT 4512/4885
US-11535621-B2 Heterobicyclic amides as inhibitors of CD38 CD38, PARP12, ENTPD2 ALDH1A1 361/4885GAA 683/4885AADAT 952/4885
US-11987584-B2 Heterobicyclic amides as inhibitors of CD38 CD38, PARP12, ENTPD2 ALDH1A1 361/4885GAA 683/4885AADAT 952/4885

“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.