Sugi Predict

Sugi Predict / Compounds / SCHEMBL3936657

SCHEMBL3936657

SCHEMBL3936657

OCc1ccnc(F)c1F

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 3/20 0.41
▸ LMNA P02545 2/20 0.41
▸ TP53 P04637 1/20 0.41
▸ MAPT P10636 1/20 0.41
▸ TSHR P16473 1/20 0.41
▸ ALOX12 P18054 1/20 0.41
▸ L3MBTL1 Q9Y468 2/20 0.33
▸ MAPK1 P28482 1/20 0.33
▸ MAP2K4 P45985 1/20 0.33
▸ MAPKAPK2 P49137 1/20 0.33
▸ MAPKAPK3 Q16644 1/20 0.33
▸ MAPK6 Q16659 1/20 0.33
▸ RECQL P46063 1/20 0.33
▸ NPC1 O15118 1/20 0.33
▸ GAA P10253 1/20 0.33
▸ HTT P42858 1/20 0.33
▸ RAB9A P51151 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ LOXL2 Q9Y4K0 1/20 0.32
▸ NAPRT Q6XQN6 1/20 0.32

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
SCHEMBL30164708 0.78 RECQL (0.39) KDM4ELMNATP53MAPTTSHR
SCHEMBL2894408 0.78 RECQL (0.39) KDM4ELMNATP53MAPTTSHR
SCHEMBL20607540 0.78 KDM4E (0.39) KDM4ELMNATP53MAPTTSHR
SCHEMBL19641091 0.78 KDM4E (0.39) KDM4ELMNATP53MAPTTSHR
SCHEMBL898551 0.78 RECQL (0.39) KDM4ELMNATP53MAPTTSHR
SCHEMBL23673999 0.78 KDM4E (0.39) KDM4ELMNATP53MAPTTSHR
SCHEMBL30822587 0.77 — —
SCHEMBL22972373 0.77 LOXL2 (0.47) LOXL2
SCHEMBL11967121 0.77 NOS3 (0.33) KDM4ENAPRTASPHKDM8CHRM1
SCHEMBL19330231 0.75 MEN1 (0.39) KDM4ELMNATP53MAPTTSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111196806-B Guanidine derivative and application thereof 广东东阳光药业股份有限公司 2024-04-26 — — CN disclosed
CN-108026073-B Fluoroindole derivatives as muscarinic M1 receptor positive allosteric modulators 苏文生命科学有限公司 2020-09-22 — — CN disclosed
EP-3423436-B1 PYRIDINYLMETHYL CARBAMIMIDOYLCARBAMATE DERIVATIVES AND THEIR USE AS AOC3 INHIBITORS BOEHRINGER INGELHEIM INT (DE) 2020-09-16 — — EP disclosed
EP-3423436-B1 PYRIDINYLMETHYL CARBAMIMIDOYLCARBAMATE DERIVATIVES AND THEIR USE AS AOC3 INHIBITORS BOEHRINGER INGELHEIM INT (DE) 2020-09-16 — — EP disclosed
US-10730850-B2 Pyridinylmethyl carbamimidoylcarbamate derivatives and their use as AOC3 inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2020-08-04 — — US disclosed
US-10730850-B2 Pyridinylmethyl carbamimidoylcarbamate derivatives and their use as AOC3 inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2020-08-04 — — US disclosed
CN-111196806-A Guanidine derivatives and use thereof 广东东阳光药业有限公司 2020-05-26 — — CN disclosed
EP-3347349-B1 FLUOROINDOLE DERIVATIVES AS MUSCARINIC M1 RECEPTOR POSITIVE ALLOSTERIC MODULATORS SUVEN LIFE SCIENCES LTD (IN) 2019-09-18 — — EP disclosed
US-10294217-B2 Fluoroindole derivatives as muscarinic M1 receptor positive allosteric modulators SUVEN LIFE SCIENCES LIMITED (IN) 2019-05-21 — — US disclosed
US-20190084959-A1 PYRIDINYLMETHYL CARBAMIMIDOYLCARBAMATE DERIVATIVES AND THEIR USE AS AOC3 INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2019-03-21 — — US disclosed
US-20190084959-A1 PYRIDINYLMETHYL CARBAMIMIDOYLCARBAMATE DERIVATIVES AND THEIR USE AS AOC3 INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2019-03-21 — — US disclosed
EP-3423436-A1 PYRIDINYLMETHYL CARBAMIMIDOYLCARBAMATE DERIVATIVES AND THEIR USE AS AOC3 INHIBITORS Boehringer Ingelheim International GmbH (DE) 2019-01-09 — — EP disclosed
US-20180244655-A1 Fluoroindole Derivatives as Muscarinic M1 Receptor Positive Allosteric Modulators SUVEN LIFE SCIENCES LIMITED (IN) 2018-08-30 — — US disclosed
EP-3347349-A1 FLUOROINDOLE DERIVATIVES AS MUSCARINIC M1 RECEPTOR POSITIVE ALLOSTERIC MODULATORS Suven Life Sciences Limited (IN) 2018-07-18 — — EP disclosed
WO-2017042643-A1 FLUOROINDOLE DERIVATIVES AS MUSCARINIC M1 RECEPTOR POSITIVE ALLOSTERIC MODULATORS SUVEN LIFE SCIENCES LIMITED (IN) 2017-03-16 — — WO disclosed
EP-2044037-A2 HIV REVERSE TRANSCRIPTASE INHIBITORS Gilead Sciences, Inc. (US) 2009-04-08 — — EP disclosed
WO-2008016522-A2 HIV REVERSE TRANSCRIPTASE INHIBITORS GILEAD SCIENCES, INC. (US) 2008-02-07 — — 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 (4 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-10294217-B2 Fluoroindole derivatives as muscarinic M1 receptor positive allosteric modulators CHRM1, CHRM2, CHRM3 KDM4E 2213/4885LMNA 4675/4885TP53 3393/4885
US-10730850-B2 Pyridinylmethyl carbamimidoylcarbamate derivatives and their use as AOC3 inhibitors AOC3, XDH, CYP3A43 KDM4E 2163/4885LMNA 416/4885TP53 3126/4885
US-20180244655-A1 Fluoroindole Derivatives as Muscarinic M1 Receptor Positive Allosteric Modulators CHRM1, CHRM2, CHRM3 KDM4E 2213/4885LMNA 4675/4885TP53 3393/4885
US-20190084959-A1 PYRIDINYLMETHYL CARBAMIMIDOYLCARBAMATE DERIVATIVES AND THEIR USE AS AOC3 INHIBITORS AOC3, XDH, CYP3A43 KDM4E 2093/4885LMNA 549/4885TP53 3028/4885

“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.