Sugi Predict

Sugi Predict / Compounds / SCHEMBL22011492

SCHEMBL22011492

SCHEMBL22011492

CC(N)c1ccccc1C#N

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 1/20 0.46
▸ ALDH1A1 P00352 4/20 0.45
▸ L3MBTL1 Q9Y468 2/20 0.45
▸ CYP1A2 P05177 2/20 0.41
▸ CYP3A4 P08684 2/20 0.41
▸ CYP2D6 P10635 1/20 0.41
▸ NFKB1 P19838 1/20 0.41
▸ PNMT P11086 1/20 0.41
▸ LMNA P02545 2/20 0.39
▸ GLA P06280 1/20 0.39
▸ IKBKB O14920 1/20 0.38
▸ CYP2C9 P11712 1/20 0.37
▸ CYP2C19 P33261 1/20 0.37
▸ HPGD P15428 1/20 0.37
▸ HTT P42858 1/20 0.36
▸ POLB P06746 1/20 0.35
▸ GAA P10253 1/20 0.35
▸ MAPK1 P28482 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ AR P10275 1/20 0.35

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
SCHEMBL26916320 1.00 TSHR (0.46) TSHRALDH1A1L3MBTL1CYP1A2CYP3A4
Hydrochloric Acid SCHEMBL1670845 0.98 TSHR (0.45) TSHRALDH1A1L3MBTL1CYP1A2CYP3A4
SCHEMBL254017 0.82 TSHR (0.50) TSHRALDH1A1L3MBTL1CYP1A2CYP3A4
SCHEMBL28781263 0.82 TSHR (0.44) TSHRALDH1A1L3MBTL1CYP1A2CYP3A4
SCHEMBL29835035 0.82 TSHR (0.50) TSHRALDH1A1L3MBTL1CYP1A2CYP3A4
SCHEMBL23526260 0.82 TSHR (0.42) TSHRALDH1A1L3MBTL1CYP1A2CYP3A4
SCHEMBL30014022 0.82 TSHR (0.42) TSHRALDH1A1L3MBTL1CYP1A2CYP3A4
SCHEMBL29946019 0.82 TSHR (0.42) TSHRALDH1A1L3MBTL1CYP1A2CYP3A4
SCHEMBL23526257 0.82 TSHR (0.42) TSHRALDH1A1L3MBTL1CYP1A2CYP3A4
SCHEMBL27349177 0.82 TSHR (0.42) TSHRALDH1A1L3MBTL1CYP1A2CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110790747-A Vatalanib succinate intermediate, and synthesis method and application thereof 安徽红杉生物医药科技有限公司 2020-02-14 — — CN claimed
US-20240174683-A1 MAP4K1 INHIBITORS BAYER AKTIENGESELLSCHAFT (DE) 2024-05-30 — — US disclosed
EP-4288437-A1 MAP4K1 INHIBITORS Bayer Aktiengesellschaft (DE) 2023-12-13 — — EP disclosed
WO-2022167627-A1 MAP4K1 INHIBITORS BAYER AKTIENGESELLSCHAFT (DE) 2022-08-11 — — WO disclosed
US-20220002294-A1 ERK INHIBITORS AND USES THEREOF THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2022-01-06 — — US disclosed
WO-2020102686-A1 ERK INHIBITORS AND USES THEREOF CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2020-05-22 — — WO disclosed
CN-110790747-A Vatalanib succinate intermediate, and synthesis method and application thereof 安徽红杉生物医药科技有限公司 2020-02-14 — — CN disclosed
CN-110790747-A Vatalanib succinate intermediate, and synthesis method and application thereof 安徽红杉生物医药科技有限公司 2020-02-14 — — CN 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 (2 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-20240174683-A1 MAP4K1 INHIBITORS MAP3K4, MAP4K4, MAP4K1 TSHR 4154/4885ALDH1A1 3841/4885L3MBTL1 2227/4885
US-20220002294-A1 ERK INHIBITORS AND USES THEREOF MAPKAPK2, MAPK3, MAP4K2 TSHR 3471/4885ALDH1A1 2813/4885L3MBTL1 1244/4885

“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.