SCHEMBL4037373

SCHEMBL4037373

CC(C)(C)OC(=O)Nc1ccncc1I

nearest known ligand 0.51

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 2/20 0.47
CYP17A1 P05093 4/20 0.46
RAB9A P51151 1/20 0.43
METAP1 P53582 1/20 0.41
BRS3 P32247 1/20 0.41
ATR Q13535 1/20 0.40

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
SCHEMBL1635061 0.88 NAMPT (0.47) NAMPTCYP17A1RAB9AMETAP1BRS3
SCHEMBL30759207 0.88 NAMPT (0.47) NAMPTCYP17A1RAB9AMETAP1BRS3
SCHEMBL6515388 0.88 CYP17A1 (0.40) NAMPTCYP17A1RAB9ABRS3
SCHEMBL18522430 0.86 NAMPT (0.50) NAMPTCYP17A1RAB9AMETAP1BRS3
SCHEMBL5746021 0.85 NAMPT (0.47) NAMPTCYP17A1RAB9A
SCHEMBL3666785 0.83 NAMPT (0.48) NAMPTCYP17A1RAB9AMETAP1BRS3
SCHEMBL2107971 0.83 NAMPT (0.48) NAMPTCYP17A1RAB9AMETAP1BRS3
SCHEMBL5551442 0.82 SIRT3 (0.47) NAMPTCYP17A1RAB9AMETAP1BRS3
SCHEMBL5777673 0.82 NAMPT (0.45) NAMPTCYP17A1RAB9AMETAP1BRS3
SCHEMBL16307603 0.82 CYP17A1 (0.55) NAMPTCYP17A1RAB9AMETAP1BRS3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20260062443-A1 PHARMACEUTICAL COMPOUNDS FOR THE TREATMENT OF COMPLEMENT MEDIATED DISORDERS ALEXION PHARMA INC (US) 2026-03-05 US disclosed
US-20250101018-A1 HETEROARYL COMPOUNDS AND USES THEREOF APRINOIA THERAPEUTICS LIMITED (CN) 2025-03-27 US disclosed
US-12187728-B2 Caffeine inhibitors of MTHFD2 and uses thereof RAZE THERAPEUTICS, INC. (US) 2025-01-07 US disclosed
US-12116364-B2 Heteroaryl compounds and uses thereof APRINOIA THERAPEUTICS INC. (CN) 2024-10-15 US disclosed
WO-2024044098-A2 PHARMACEUTICAL COMPOUNDS FOR THE TREATMENT OF COMPLEMENT MEDIATED DISORDERS ALEXION PHARMACEUTICALS, INC. (US) 2024-02-29 WO disclosed
US-20230374006-A1 HETEROARYL COMPOUNDS AND USES THEREOF APRINOIA THERAPEUTICS LIMITED (CN) 2023-11-23 US disclosed
US-20230374006-A1 HETEROARYL COMPOUNDS AND USES THEREOF APRINOIA THERAPEUTICS LIMITED (CN) 2023-11-23 US disclosed
US-20230374006-A1 HETEROARYL COMPOUNDS AND USES THEREOF APRINOIA THERAPEUTICS LIMITED (CN) 2023-11-23 US disclosed
CN-112384517-B Heteroaryl compounds and uses thereof 新旭生技股份有限公司 2023-07-14 CN disclosed
US-20230067237-A1 CAFFEINE INHIBITORS OF MTHFD2 AND USES THEREOF RAZE THERAPEUTICS, INC. 2023-03-02 US disclosed
US-6281227-B1 INHIBITORS OF THE ACTIVITY OF FACTOR XA. AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2001-08-28 US disclosed
WO-2001034567-A1 N-ACYLPYRROLIDIN-2-YLALKYLBENZAMIDINE DERIVATIVES AS INHIBITORS OF FACTOR XA AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2001-05-17 WO disclosed
CN-1291892-A Substituted oxoazaheterocyclyl factor Xa inhibitors AWENTIS PHARMACEUTICAL INC (US) 2001-04-18 CN disclosed
EP-1086099-A1 SULFONIC ACID OR SULFONYLAMINO N-(HETEROARALKYL)-AZAHETEROCYCLYLAMIDE COMPOUNDS Aventis Pharmaceuticals Products Inc. (US) 2001-03-28 EP disclosed
WO-2001007436-A2 SUBSTITUTED OXOAZAHETEROCYCLYL COMPOUNDS AVENTIS PHARMACEUTICALS INC. (US) 2001-02-01 WO disclosed
EP-1051176-A1 SUBSTITUTED OXOAZAHETEROCYCLYL FACTOR Xa INHIBITORS Aventis Pharmaceuticals Products Inc. (US) 2000-11-15 EP disclosed
WO-2000039087-A2 SUBSTITUTED (AMINOIMINOMETHYL OR AMINOMETHYL)BENZOHETEROARYL COMPOUNDS AS FACTOR XA INHIBITORS AVENTIS PHARMACEUTICALS PRODUCTS INC. (US) 2000-07-06 WO disclosed
WO-2000032590-A1 SUBSTITUTED OXOAZAHETEROCYCLYL FACTOR Xa INHIBITORS AVENTIS PHARMACEUTICALS PRODUCTS INC. (US) 2000-06-08 WO disclosed
WO-1999062904-A1 SULFONIC ACID OR SULFONYLAMINO N-(HETEROARALKYL)-AZAHETEROCYCLYLAMIDE COMPOUNDS AVENTIS PHARMACEUTICALS PRODUCTS INC. (US) 1999-12-09 WO disclosed
WO-1999037304-A1 SUBSTITUTED OXOAZAHETEROCYCLYL FACTOR Xa INHIBITORS AVENTIS PHARMACEUTICALS PRODUCTS INC. (US) 1999-07-29 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-12187728-B2 Caffeine inhibitors of MTHFD2 and uses thereof MTHFD2, MTHFD1, NUDT15 NAMPT 28/4885CYP17A1 1473/4885RAB9A 3912/4885
US-20230374006-A1 HETEROARYL COMPOUNDS AND USES THEREOF MAPT, APP, SLCO1B3 NAMPT 3012/4885CYP17A1 751/4885RAB9A 603/4885
US-20260062443-A1 PHARMACEUTICAL COMPOUNDS FOR THE TREATMENT OF COMPLEMENT MEDIATED DISORDERS C9, SSB, C1S NAMPT 4847/4885CYP17A1 3805/4885RAB9A 317/4885
US-20230067237-A1 CAFFEINE INHIBITORS OF MTHFD2 AND USES THEREOF MTHFD2, MTHFD1, NUDT15 NAMPT 28/4885CYP17A1 1473/4885RAB9A 3912/4885
US-20250101018-A1 HETEROARYL COMPOUNDS AND USES THEREOF MAPT, APP, SLCO1B3 NAMPT 3012/4885CYP17A1 751/4885RAB9A 603/4885
US-12116364-B2 Heteroaryl compounds and uses thereof MAPT, APP, SLCO1B3 NAMPT 3012/4885CYP17A1 751/4885RAB9A 603/4885

“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.