Sugi Predict

Sugi Predict / Compounds / SCHEMBL5116

SCHEMBL5116

SCHEMBL5116

O=Cc1cc2cccc(Cl)c2nc1Cl

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.46
▸ CYP1A2 P05177 1/20 0.45
▸ CYP3A4 P08684 1/20 0.45
▸ CYP2D6 P10635 1/20 0.45
▸ CYP2C19 P33261 1/20 0.45
▸ MEN1 O00255 3/20 0.41
▸ KMT2A Q03164 3/20 0.41
▸ TDP1 Q9NUW8 2/20 0.41
▸ KDR P35968 10/20 0.40
▸ MAPT P10636 3/20 0.39
▸ KDM4E B2RXH2 2/20 0.39
▸ MPI P34949 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ NPC1 O15118 1/20 0.37
▸ GAA P10253 1/20 0.37
▸ RAB9A P51151 1/20 0.37

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
SCHEMBL29683769 1.00 ALDH1A1 (0.46) ALDH1A1CYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL719667 0.83 ALDH1A1 (0.44) ALDH1A1CYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL19331488 0.83 ALDH1A1 (0.44) ALDH1A1CYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL458716 0.83 KDR (0.54) ALDH1A1CYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL457871 0.80 DHODH (0.44) ALDH1A1CYP1A2CYP2C19MEN1KMT2A
SCHEMBL4182889 0.80 ALDH1A1 (0.42) ALDH1A1MEN1KMT2ATDP1KDM4E
SCHEMBL1881135 0.80 ALDH1A1 (0.45) ALDH1A1CYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL4181276 0.79 PDE3B (0.46) ALDH1A1CYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL5043535 0.79 ALDH1A1 (0.44) ALDH1A1CYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL29951253 0.78 PARP1 (0.48) ALDH1A1MEN1KMT2AKDRMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4514789-A1 <SUP2/>? <SUB2/>?V?BICYCLIC HETEROCYCLIC AMIDE INHIBITORS OF NA1.8 FOR THE TREATMENT OF PAIN SiteOne Therapeutics, Inc. (US) 2025-03-05 — — EP disclosed
WO-2023211990-A1 BICYCLIC HETEROCYCLIC AMIDE INHIBITORS OF NA V1.8 FOR THE TREATMENT OF PAIN SITEONE THERAPEUTICS, INC. (US) 2023-11-02 — — WO disclosed
CN-114573580-A Crystalline forms of selegiline UCB生物制药有限责任公司 2022-06-03 — — CN disclosed
US-11059820-B2 Crystalline forms of seletalisib UCB BIOPHARMA SPRL (BE) 2021-07-13 — — US disclosed
EP-3630760-A1 CRYSTALLINE FORMS OF SELETALISIB UCB Biopharma SRL (BE) 2020-04-08 — — EP disclosed
US-20200095246-A1 CRYSTALLINE FORMS OF SELETALISIB UCB BIOPHARMA SRL (SOCIETE A RESPONSABILITE LIMITEE) (BE) 2020-03-26 — — US disclosed
US-20200048265-A1 HETEROCYCLIC COMPOUNDS AND THEIR USES AMGEN INC. (US) 2020-02-13 — — US disclosed
US-20200048265-A1 HETEROCYCLIC COMPOUNDS AND THEIR USES AMGEN INC. (US) 2020-02-13 — — US disclosed
CN-110709399-A Crystalline forms of selegiline UCB生物制药私人有限公司 2020-01-17 — — CN disclosed
US-10442799-B1 Heterocyclic compounds and uses thereof RUAN FUQIANG (US) 2019-10-15 — — US disclosed
US-20090030002-A1 Heterocyclic compounds and their uses AMGEN INC. 2009-01-29 — — US disclosed
US-20090030002-A1 Heterocyclic compounds and their uses AMGEN INC. 2009-01-29 — — US disclosed
US-20090030002-A1 Heterocyclic compounds and their uses AMGEN INC. 2009-01-29 — — US disclosed
US-20090023729-A1 Trisubstituted amine compound MITSUBISHI TANABE PHARMA CORPORATION (JP) 2009-01-22 — — US disclosed
EP-1979341-A1 TRISUBSTITUTED AMINE COMPOUND Mitsubishi Tanabe Pharma Corporation (JP) 2008-10-15 — — EP disclosed
WO-2008118454-A2 DERIVATIVES OF QUINOLINE OR BENZOPYRAZINE AND THEIR USES FOR THE TREATMENT OF (INTER ALIA) INFLAMMATORY DISEASES, AUTOIMMUNE DISEASES OR VARIOUS KINDS OF CANCER AMGEN INC. (US) 2008-10-02 — — WO disclosed
WO-2008118454-A2 DERIVATIVES OF QUINOLINE OR BENZOPYRAZINE AND THEIR USES FOR THE TREATMENT OF (INTER ALIA) INFLAMMATORY DISEASES, AUTOIMMUNE DISEASES OR VARIOUS KINDS OF CANCER AMGEN INC. (US) 2008-10-02 — — WO disclosed
WO-2008118468-A1 HETEROCYCLIC COMPOUNDS AND THEIR USES AMGEN INC. (US) 2008-10-02 — — WO disclosed
WO-2008118468-A1 HETEROCYCLIC COMPOUNDS AND THEIR USES AMGEN INC. (US) 2008-10-02 — — WO disclosed
WO-2007088999-A1 TRISUBSTITUTED AMINE COMPOUND MITSUBISHI TANABE PHARMA CORPORATION (JP) 2007-08-09 — — 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-20200048265-A1 HETEROCYCLIC COMPOUNDS AND THEIR USES MCL1, BCL9, MALT1 ALDH1A1 3905/4885CYP1A2 2390/4885CYP3A4 3267/4885
US-10442799-B1 Heterocyclic compounds and uses thereof BRD4, BICRA, BET1 ALDH1A1 4202/4885CYP1A2 3288/4885CYP3A4 2626/4885
US-20200095246-A1 CRYSTALLINE FORMS OF SELETALISIB BRAF, PI4KB, PI4K2B ALDH1A1 3209/4885CYP1A2 2514/4885CYP3A4 2076/4885
US-20090023729-A1 Trisubstituted amine compound CETP, MTTP, APOB ALDH1A1 3188/4885CYP1A2 650/4885CYP3A4 800/4885
US-11059820-B2 Crystalline forms of seletalisib BRAF, PI4KB, PI4K2B ALDH1A1 3209/4885CYP1A2 2514/4885CYP3A4 2076/4885
US-20090030002-A1 Heterocyclic compounds and their uses MCL1, BCL9, MALT1 ALDH1A1 3750/4885CYP1A2 2231/4885CYP3A4 3126/4885

“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.