Sugi Predict

Sugi Predict / Compounds / SCHEMBL1012589

SCHEMBL1012589

SCHEMBL1012589

CC(C)(C)c1cc(N)n(-c2ccc(C#N)cc2)n1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NTRK1 P04629 1/20 0.43
▸ NTRK2 Q16620 1/20 0.43
▸ NPC1 O15118 2/20 0.42
▸ MAPT P10636 2/20 0.42
▸ RAB9A P51151 2/20 0.42
▸ SMN1; SMN2 Q16637 2/20 0.42
▸ CYP1A2 P05177 2/20 0.42
▸ CYP2C19 P33261 2/20 0.42
▸ MEN1 O00255 1/20 0.42
▸ TP53 P04637 1/20 0.42
▸ CYP3A4 P08684 1/20 0.42
▸ CYP2C9 P11712 1/20 0.42
▸ KMT2A Q03164 1/20 0.42
▸ CDK8 P49336 1/20 0.41
▸ PDPK1 O15530 1/20 0.39
▸ FLT3 P36888 1/20 0.39
▸ LMNA P02545 2/20 0.39
▸ TSHR P16473 1/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ GRN P28799 1/20 0.39

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
SCHEMBL18865526 0.85 PDPK1 (0.53) PDPK1XDH
SCHEMBL2083398 0.84 MAP3K7 (0.43) NTRK1NTRK2MAPTCYP1A2CYP2C19
SCHEMBL366727 0.82 NPC1 (0.60) NPC1MAPTRAB9ASMN1; SMN2CYP1A2
SCHEMBL1012343 0.81 SMN1; SMN2 (0.46) NPC1MAPTRAB9ASMN1; SMN2CYP1A2
Hydrochloric Acid SCHEMBL1504021 0.81 NPC1 (0.58) NPC1MAPTRAB9ASMN1; SMN2CYP1A2
SCHEMBL1283896 0.80 CDK8 (0.47) NPC1MAPTRAB9ASMN1; SMN2CYP1A2
SCHEMBL14353427 0.80 CYP1A2 (0.62) NPC1MAPTRAB9ASMN1; SMN2CYP1A2
SCHEMBL4056715 0.80 NPC1 (0.45) NPC1MAPTRAB9ASMN1; SMN2CYP1A2
SCHEMBL31265664 0.80 NPC1 (0.45) NPC1MAPTRAB9ASMN1; SMN2CYP1A2
SCHEMBL274692 0.80 NPC1 (0.57) NPC1MAPTRAB9ASMN1; SMN2CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3774797-B1 HETEROARYL COMPOUNDS AS TYPE II IRAK INHIBITORS AND USES HEREOF MERCK PATENT GMBH (DE) 2025-11-19 — — EP disclosed
WO-2025067411-A1 NEK7 INHIBITOR, PHARMACEUTICAL COMPOSITION AND USE THEREOF 北京普祺医药科技股份有限公司 2025-04-03 — — WO disclosed
CN-119060018-A N, N-diaryl urea derivative and application thereof 杭州百新生物医药科技有限公司 2024-12-03 — — CN disclosed
CN-112236429-B Heteroaryl compounds useful as type II IRAK inhibitors and uses thereof 默克专利有限公司 2024-10-11 — — CN disclosed
US-11873303-B2 Substituted pyrazoles as type II IRAK inhibitors MERCK PATENT GMBH (DE) 2024-01-16 — — US disclosed
EP-3999057-A1 POLYAROMATIC UREA DERIVATIVES AND THEIR USE IN THE TREATMENT OF MUSCLE DISEASES ANAGENESIS BIOTECHNOLOGIES SAS (FR) 2022-05-25 — — EP disclosed
CN-114144410-A Polyarylurea derivatives and their use in the treatment of muscular diseases 阿纳格纳斯生物技术股份有限公司 2022-03-04 — — CN disclosed
US-20210163487-A1 HETEROARYL COMPOUNDS AS TYPE II IRAK INHIBITORS AND USES THEREOF EMD Serono Research and Development Institute, Inc. 2021-06-03 — — US disclosed
CN-112601752-A Novel inhibitors of MAP4K1 伊克诺斯科学公司 2021-04-02 — — CN disclosed
CN-112236429-A Heteroaryl compounds as type II IRAK inhibitors and uses thereof 默克专利有限公司 2021-01-15 — — CN disclosed
EP-2044053-A2 UREA COMPOUNDS USEFUL IN THE TREATMENT OF CANCER Bayer Healthcare, LLC (US) 2009-04-08 — — EP disclosed
WO-2009015000-A1 PYRAZOLE UREA DERIVATIVES USED AS KINASE INHIBITORS ARRAY BIOPHARMA INC. (US) 2009-01-29 — — WO disclosed
US-20080214545-A1 Substituted Pyrazolyl Urea Derivatives Useful in the Treatment of Cancer BAYER HEALTHCARE LLC 2008-09-04 — — US disclosed
US-20080214545-A1 Substituted Pyrazolyl Urea Derivatives Useful in the Treatment of Cancer BAYER HEALTHCARE LLC 2008-09-04 — — US disclosed
EP-1960394-A2 PYRAZOLYL UREA DERIVATIVES USEFUL IN THE TREATMENT OF CANCER Bayer HealthCare AG (DE) 2008-08-27 — — EP disclosed
CN-101010315-A Substituted pyrazolyl urea derivatives useful in the treatment of cancer BAYER PHARMACEUTICALS CORP (US) 2007-08-01 — — CN disclosed
WO-2007064872-A2 UREA COMPOUNDS USEFUL IN THE TREATMENT OF CANCER BAYER HEALTHCARE LLC (US) 2007-06-07 — — WO disclosed
WO-2007064872-A2 UREA COMPOUNDS USEFUL IN THE TREATMENT OF CANCER BAYER HEALTHCARE LLC (US) 2007-06-07 — — WO disclosed
WO-2007059202-A2 PYRAZOLYL UREA DERIVATIVES USEFUL IN THE TREATMENT OF CANCER BAYER HEALTHCARE AG (DE) 2007-05-24 — — WO disclosed
WO-2007059202-A2 PYRAZOLYL UREA DERIVATIVES USEFUL IN THE TREATMENT OF CANCER BAYER HEALTHCARE AG (DE) 2007-05-24 — — 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 (3 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-20210163487-A1 HETEROARYL COMPOUNDS AS TYPE II IRAK INHIBITORS AND USES THEREOF IRAK2, IRAK3, IRAK1 NTRK1 1363/4885NTRK2 1010/4885NPC1 1081/4885
US-20080214545-A1 Substituted Pyrazolyl Urea Derivatives Useful in the Treatment of Cancer UMPS, SLC14A1, TP53 NTRK1 4715/4885NTRK2 4687/4885NPC1 735/4885
US-11873303-B2 Substituted pyrazoles as type II IRAK inhibitors IRAK2, IRAK3, IRAK1 NTRK1 1843/4885NTRK2 1159/4885NPC1 1386/4885

“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.