SCHEMBL1008113

SCHEMBL1008113

O=C(O)c1cc2n(n1)CCCC2=O

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.48
POLB P06746 2/20 0.44
RPA1 P27694 3/20 0.37
SMN1; SMN2 Q16637 2/20 0.35
THRB P10828 1/20 0.34
ALDH1A1 P00352 1/20 0.34
MAPT P10636 1/20 0.34
HTT P42858 1/20 0.34
ITGB3 P05106 2/20 0.34
ITGA2B P08514 2/20 0.34
L3MBTL1 Q9Y468 1/20 0.33
LMNA P02545 1/20 0.33
ALOX15 P16050 1/20 0.33
TSHR P16473 1/20 0.33
HIF1A Q16665 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33

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
SCHEMBL6381168 0.95 CYP1A2 (0.44) CYP1A2POLBRPA1SMN1; SMN2THRB
SCHEMBL24928463 0.90 POLB (0.46) CYP1A2POLBRPA1SMN1; SMN2ALDH1A1
SCHEMBL19044281 0.81 CYP1A2 (0.49) CYP1A2POLBSMN1; SMN2THRBALDH1A1
SCHEMBL1423019 0.77 HTR2A (0.40) ALOX15TSHRHIF1A
SCHEMBL6381453 0.74 ALDH1A1 (0.42) CYP1A2SMN1; SMN2ALDH1A1MAPTL3MBTL1
SCHEMBL13424047 0.74 CYP1A2 (0.48) CYP1A2ALDH1A1
SCHEMBL1423651 0.72 HTR2A (0.44)
SCHEMBL15009288 0.72 CDC7 (0.54) POLBRPA1SMN1; SMN2ALDH1A1MAPT
SCHEMBL23980136 0.72 POLB (0.52) CYP1A2POLBRPA1SMN1; SMN2ALDH1A1
SCHEMBL13423899 0.72 CYP1A2 (0.41) CYP1A2ALDH1A1MAPTL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2025029075-A1 NOVEL BIPHENYL DERIVATIVE AS PD-L1 INHIBITOR (주)아이랩 2025-02-06 WO disclosed
US-20230167110-A1 6-HETEROARYLOXY BENZIMIDAZOLES AND AZABENZIMIDAZOLES AS JAK2 INHIBITORS SCHRÖDINGER, INC. 2023-06-01 US disclosed
US-20230167110-A1 6-HETEROARYLOXY BENZIMIDAZOLES AND AZABENZIMIDAZOLES AS JAK2 INHIBITORS SCHRÖDINGER, INC. 2023-06-01 US disclosed
WO-2023086319-A1 6-HE TERO ARYLOXY BENZIMIDAZOLES AND AZABENZIMIDAZOLES AS JAK2 INHIBITORS AJAX THERAPEUTICS, INC. (US) 2023-05-19 WO disclosed
US-20230014226-A1 NEW COMPOUNDS AND METHODS BENEVOLENTAI BIO LIMITED (GB) 2023-01-19 US disclosed
US-20230014226-A1 NEW COMPOUNDS AND METHODS BENEVOLENTAI BIO LIMITED (GB) 2023-01-19 US disclosed
CN-113429410-B Polyheterocyclic substituted pyrimidine or pyridylamine derivatives, compositions and medical uses thereof 上海海雁医药科技有限公司 2022-10-04 CN disclosed
WO-2022140527-A1 6-HETEROARYLOXY BENZIMIDAZOLES AND AZABENZIMIDAZOLES AS JAK2 INHIBITORS AJAX THERAPEUTICS, INC. (US) 2022-06-30 WO disclosed
WO-2022129913-A1 ALKYNE DERIVATIVES AS INHIBITORS OF C-ABL BENEVOLENTAI BIO LIMITED (GB) 2022-06-23 WO disclosed
EP-3986559-A1 NEW COMPOUNDS AND METHODS BenevolentAI Bio Limited (GB) 2022-04-27 EP disclosed
CN-114340734-A Novel compounds and methods 博善人工智能生物科技有限公司 2022-04-12 CN disclosed
CN-113429410-A Polyheterocyclic substituted pyrimidine or pyridylamine derivatives, compositions and medical uses thereof 上海海雁医药科技有限公司 2021-09-24 CN disclosed
WO-2020260871-A1 NEW COMPOUNDS AND METHODS BENEVOLENTAI BIO LIMITED (GB) 2020-12-30 WO disclosed
EP-2350084-B1 TETRA-AZA-HETEROCYCLES AS PHOSPHATIDYLINOSITOL-3-KINASES (PI3-KINASES) INHIBITOR BOEHRINGER INGELHEIM INT (DE) 2015-06-24 EP disclosed
US-8653097-B2 Tetra-aza-heterocycles as phosphatidylinositol-3-kinases (P13-kinases) inhibitor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-02-18 US disclosed
US-20110312940-A1 TETRA-AZA-HETEROCYCLES AS PHOSPHATIDYLINOSITOL-3-KINASES (P13-KINASES) INHIBITOR BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-12-22 US disclosed
US-20110118236-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-05-19 US disclosed
EP-2269990-A1 HETEROCYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2011-01-05 EP disclosed
US-20050107412-A1 Pharmaceutically active compounds PFIZER INC 2005-05-19 US disclosed
US-6831074-B2 Inhibitors of cyclic guanosine 3',5'-monophosphate phosphodiesterases (cGMP PDES); for use in therapy of sexual disorders PFIZER INC 2004-12-14 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 (5 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-20110312940-A1 TETRA-AZA-HETEROCYCLES AS PHOSPHATIDYLINOSITOL-3-KINASES (P13-KINASES) INHIBITOR CCNK, CDK1, CDKN1A CYP1A2 1673/4885POLB 2660/4885RPA1 2332/4885
US-20050107412-A1 Pharmaceutically active compounds PDE5A, PDE2A, PDE3B CYP1A2 679/4885POLB 995/4885RPA1 3762/4885
US-20230014226-A1 NEW COMPOUNDS AND METHODS ABL2, ABL1, ALK CYP1A2 957/4885POLB 3091/4885RPA1 4669/4885
US-20230167110-A1 6-HETEROARYLOXY BENZIMIDAZOLES AND AZABENZIMIDAZOLES AS JAK2 INHIBITORS JAK2, JAK3, STAT5B CYP1A2 3220/4885POLB 1228/4885RPA1 2923/4885
US-20110118236-A1 HETEROCYCLIC COMPOUND GRIN1, GRM1, GRIK1 CYP1A2 2476/4885POLB 3571/4885RPA1 843/4885

“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.