Sugi Predict

Sugi Predict / Compounds / SCHEMBL2708511

SCHEMBL2708511

SCHEMBL2708511

FC(F)(F)c1ccc2sc(C3CCNCC3)nc2c1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 1/20 0.64
▸ RAB9A P51151 1/20 0.64
▸ MEN1 O00255 2/20 0.59
▸ KMT2A Q03164 2/20 0.59
▸ HTR2C P28335 4/20 0.48
▸ ILK Q13418 2/20 0.43
▸ POLB P06746 1/20 0.43
▸ DYRK1A Q13627 1/20 0.43
▸ KCNH2 Q12809 1/20 0.39
▸ MAPK1 P28482 1/20 0.39
▸ P2RY2 P41231 1/20 0.39
▸ EPHX2 P34913 1/20 0.38
▸ SCN4A P35499 1/20 0.38
▸ MAP3K12 Q12852 1/20 0.38
▸ CSNK1A1 P48729 1/20 0.37
▸ CSNK1D P48730 1/20 0.37
▸ RPS6KA3 P51812 1/20 0.37
▸ ADRB2 P07550 1/20 0.37
▸ NCF1 P14598 1/20 0.37
▸ MAPK13 O15264 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
SCHEMBL7967354 0.82 NPC1 (0.68) NPC1RAB9AMEN1KMT2ADYRK1A
SCHEMBL14183926 0.82 DYRK1A (0.44) NPC1RAB9AHTR2CILKDYRK1A
SCHEMBL29688848 0.79 NPC1 (0.68) NPC1RAB9AMEN1KMT2AHTR2C
SCHEMBL12209530 0.79 NPC1 (0.97) NPC1RAB9AMEN1KMT2APOLB
SCHEMBL20135675 0.79 NPC1 (0.68) NPC1RAB9AMEN1KMT2AHTR2C
SCHEMBL25922623 0.79 NPC1 (0.68) NPC1RAB9AMEN1KMT2AILK
Hydrochloric Acid SCHEMBL27204264 0.78 ILK (0.46) NPC1RAB9AMEN1KMT2AHTR2C
Hydrochloric Acid SCHEMBL27157833 0.78 ILK (0.46) NPC1RAB9AMEN1KMT2AHTR2C
Hydrochloric Acid SCHEMBL27158259 0.78 ILK (0.46) NPC1RAB9AMEN1KMT2AHTR2C
SCHEMBL30551597 0.78 NPC1 (0.94) NPC1RAB9AMEN1KMT2APOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107922347-B Novel imide derivatives and their use as pharmaceuticals 田边三菱制药株式会社 2022-06-28 — — CN disclosed
US-10407408-B2 Imide derivatives and use thereof as medicine MITSUBISHI TANABE PHARMA CORPORATION (JP) 2019-09-10 — — US disclosed
US-20190077787-A1 NOVEL IMIDE DERIVATIVES AND USE THEREOF AS MEDICINE MITSUBISHI TANABE PHARMA CORPORATION (JP) 2019-03-14 — — US disclosed
EP-3321256-A1 NOVEL IMIDE DERIVATIVES AND USE THEREOF AS MEDICINE Mitsubishi Tanabe Pharma Corporation (JP) 2018-05-16 — — EP disclosed
CN-107922347-A New imide derivative and its purposes as medicine 田边三菱制药株式会社 2018-04-17 — — CN disclosed
EP-1930319-B1 Proline derivatives and use thereof as drugs MITSUBISHI TANABE PHARMA CORP (JP) 2012-05-02 — — EP disclosed
CN-1982308-B Substituted pyrazoles ORTHO MCNEIL PHARM INC 2010-06-16 — — CN disclosed
EP-1315490-B1 A METHOD FOR TREATING ALLERGIES USING SUBSTITUTED PYRAZOLES ORTHO MCNEIL PHARM INC (US) 2008-11-12 — — EP disclosed
EP-1308439-B1 PROLINE DERIVATIVES AND USE THEREOF AS DRUGS MITSUBISHI TANABE PHARMA CORP (JP) 2008-10-15 — — EP disclosed
EP-1950199-A1 Proline derivatives and use thereof as drugs Mitsubishi Tanabe Pharma Corporation (JP) 2008-07-30 — — EP disclosed
CN-1468237-A Substituted pyrazoles 奥索-麦克尼尔药品公司 2004-01-14 — — CN disclosed
US-6583155-B2 Administering 2-(1-(3-(5-Acetyl-3-(4-chloro-phenyl)-4,5,6,7-tetrahydro-pyrazolo-(4,3 -c)pyridin-1-yl)-2-hydroxy-propyl)-piperidin-4-ylamino)-benzonitrile for inhibiting cathepsins; for treating atopic diseases ORTHO-MCNEIL PHARMACEUTICAL, INC. 2003-06-24 — — US disclosed
EP-1315490-A2 A METHOD FOR TREATING ALLERGIES USING SUBSTITUTED PYRAZOLES Ortho-McNeil Pharmaceutical, Inc. (US) 2003-06-04 — — EP disclosed
EP-1309593-A2 SUBSTITUTED PYRAZOLES Ortho-McNeil Pharmaceutical, Inc. (US) 2003-05-14 — — EP disclosed
EP-1308439-A1 PROLINE DERIVATIVES AND USE THEREOF AS DRUGS WELFIDE CORPORATION (JP) 2003-05-07 — — EP disclosed
US-20030078419-A1 Substituted pyrazoles ORTHO MCNEIL PHARMACEUTICAL, INC. 2003-04-24 — — US disclosed
US-20020115656-A1 Method for treating allergies using substituted pyrazoles BUTLER CHRISTOPHER R (US) 2002-08-22 — — US disclosed
US-20020055497-A1 Method for treating allergies using substituted pyrazoles BUTLER CHRISTOPHER R (US) 2002-05-09 — — US disclosed
WO-2002020011-A2 A METHOD FOR TREATING ALLERGIES USING SUBSTITUTED PYRAZOLES ORTHO MCNEIL PHARMACEUTICAL, INC. (US) 2002-03-14 — — WO disclosed
WO-2002014315-A2 SUBSTITUTED PYRAZOLES ORTHO MCNEIL PHARMACEUTICAL, INC. (US) 2002-02-21 — — 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 (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-20030078419-A1 Substituted pyrazoles CTSS, CTSZ, CTSV NPC1 918/4885RAB9A 651/4885MEN1 4083/4885
US-20190077787-A1 NOVEL IMIDE DERIVATIVES AND USE THEREOF AS MEDICINE MMP9, MMP10, MMP1 NPC1 4881/4885RAB9A 270/4885MEN1 3735/4885
US-20020115656-A1 Method for treating allergies using substituted pyrazoles TSLP, IL33, HRH2 NPC1 1425/4885RAB9A 3633/4885MEN1 4466/4885
US-10407408-B2 Imide derivatives and use thereof as medicine MMP9, MMP2, MMP1 NPC1 4882/4885RAB9A 345/4885MEN1 2913/4885
US-20020055497-A1 Method for treating allergies using substituted pyrazoles TSLP, IL33, HRH2 NPC1 1425/4885RAB9A 3633/4885MEN1 4466/4885

“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.