Sugi Predict

Sugi Predict / Compounds / SCHEMBL417209

SCHEMBL417209

SCHEMBL417209

CCNC(=O)NC(=O)CC#N

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MCL1 Q07820 5/20 0.69
▸ ALDH1A1 P00352 7/20 0.58
▸ CYP3A4 P08684 1/20 0.58
▸ NPC1 O15118 2/20 0.48
▸ RAB9A P51151 2/20 0.48
▸ GAA P10253 3/20 0.45
▸ THRB P10828 1/20 0.36
▸ KMT2A Q03164 2/20 0.34
▸ KDM4E B2RXH2 6/20 0.34
▸ HPGD P15428 3/20 0.34
▸ HSD17B10 Q99714 3/20 0.34
▸ MAPT P10636 2/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ USP2 O75604 1/20 0.34
▸ POLB P06746 1/20 0.34
▸ TDP1 Q9NUW8 1/20 0.34
▸ HTT P42858 2/20 0.33
▸ ALOX12 P18054 1/20 0.33
▸ SMN1; SMN2 Q16637 2/20 0.33
▸ TP53 P04637 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
SCHEMBL3991887 0.84 MCL1 (0.71) MCL1ALDH1A1CYP3A4NPC1RAB9A
SCHEMBL215502 0.82 — —
SCHEMBL19066321 0.81 MCL1 (0.56) MCL1ALDH1A1CYP3A4GAAKDM4E
SCHEMBL11012909 0.80 — —
SCHEMBL4248827 0.80 EPHX1 (0.55) MCL1ALDH1A1CYP3A4GAASMN1; SMN2
SCHEMBL6027601 0.79 ALDH1A1 (0.53) MCL1ALDH1A1CYP3A4GAAKMT2A
SCHEMBL11683228 0.78 MCL1 (0.67) MCL1ALDH1A1CYP3A4GAATHRB
SCHEMBL8580193 0.76 ALDH1A1 (0.50) MCL1ALDH1A1CYP3A4GAAKMT2A
SCHEMBL3415473 0.76 MCL1 (0.58) MCL1ALDH1A1CYP3A4NPC1RAB9A
SCHEMBL9719005 0.75 KMT2A (0.44) MCL1ALDH1A1NPC1RAB9AGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12187728-B2 Caffeine inhibitors of MTHFD2 and uses thereof RAZE THERAPEUTICS, INC. (US) 2025-01-07 — — US disclosed
US-20230067237-A1 CAFFEINE INHIBITORS OF MTHFD2 AND USES THEREOF RAZE THERAPEUTICS, INC. 2023-03-02 — — US disclosed
US-20230067237-A1 CAFFEINE INHIBITORS OF MTHFD2 AND USES THEREOF RAZE THERAPEUTICS, INC. 2023-03-02 — — US disclosed
US-11370792-B2 Caffeine inhibitors of MTHFD2 and uses thereof RAZE THERAPEUTICS, INC. (US) 2022-06-28 — — US disclosed
US-11370792-B2 Caffeine inhibitors of MTHFD2 and uses thereof RAZE THERAPEUTICS, INC. (US) 2022-06-28 — — US disclosed
CN-215711980-U SN waste water processing apparatus that produces 绿邦膜分离技术(天津)有限公司 2022-02-01 — — CN disclosed
CN-112679003-A Cymoxanil wastewater treatment system and method 大连理工江苏研究院有限公司 2021-04-20 — — CN disclosed
CN-111068924-B Application of 2-cyano-N- (substituted carbamoyl) acetamide compound in flotation of calcium-containing minerals 中南大学 2020-10-16 — — CN disclosed
CN-111068924-A Application of 2-cyano-N- (substituted carbamoyl) acetamide compound in flotation of calcium-containing minerals 中南大学 2020-04-28 — — CN disclosed
US-20180370972-A1 CAFFEINE INHIBITORS OF MTHFD2 AND USES THEREOF RAZE THERAPEUTICS, INC. 2018-12-27 — — US disclosed
US-8604193-B2 Processes for preparing HIV reverse transcriptase inhibitors KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2013-12-10 — — US disclosed
US-20120022257-A1 PROCESSES FOR PREPARING HIV REVERSE TRANSCRIPTASE INHIBITORS KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2012-01-26 — — US disclosed
US-20120022257-A1 PROCESSES FOR PREPARING HIV REVERSE TRANSCRIPTASE INHIBITORS KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2012-01-26 — — US disclosed
US-20120022257-A1 PROCESSES FOR PREPARING HIV REVERSE TRANSCRIPTASE INHIBITORS KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2012-01-26 — — US disclosed
WO-2010085128-A2 PROCESSES FOR PREPARING HIV REVERSE TRANSCRIPTASE INHIBITORS KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2010-07-29 — — WO disclosed
US-4518605-A Fungicidal azole-substituted oximino-cyano-acetamide derivatives BAYER AKTIENGESELLSCHAFT (DE) 1985-05-21 — — US disclosed
US-4368202-A SYSTEMIC BAYER AKTIENGESELLSCHAFT (DE) 1983-01-11 — — US disclosed
US-4051255-A 2-CYANO-2-HYDROXYIMINOACETAMIDES AS PLANT DISEASE CONTROL AGENTS E. I. DU PONT DE NEMOURS AND COMPANY (US) 1977-09-27 — — US disclosed
US-3957847-A FUNGICIDES E. I. DU PONT DE NEMOURS AND COMPANY (US) 1976-05-18 — — US disclosed
US-3954992-A FUNGICIDES E. I. DU PONT DE NEMOURS AND COMPANY (US) 1976-05-04 — — 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-12187728-B2 Caffeine inhibitors of MTHFD2 and uses thereof MTHFD2, MTHFD1, NUDT15 MCL1 3561/4885ALDH1A1 260/4885CYP3A4 830/4885
US-11370792-B2 Caffeine inhibitors of MTHFD2 and uses thereof MTHFD2, MTHFD1, NUDT15 MCL1 3561/4885ALDH1A1 260/4885CYP3A4 830/4885
US-20230067237-A1 CAFFEINE INHIBITORS OF MTHFD2 AND USES THEREOF MTHFD2, MTHFD1, NUDT15 MCL1 3561/4885ALDH1A1 260/4885CYP3A4 830/4885
US-20180370972-A1 CAFFEINE INHIBITORS OF MTHFD2 AND USES THEREOF MTHFD2, MTHFD1, NUDT15 MCL1 3561/4885ALDH1A1 260/4885CYP3A4 830/4885
US-20120022257-A1 PROCESSES FOR PREPARING HIV REVERSE TRANSCRIPTASE INHIBITORS POLRMT, SAMHD1, POLR1E MCL1 1202/4885ALDH1A1 1713/4885CYP3A4 408/4885

“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.