Sugi Predict

Sugi Predict / Compounds / SCHEMBL746589

SCHEMBL746589

SCHEMBL746589

Cc1cc(Br)ccc1NC(=O)C(F)(F)F

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 6/20 0.52
▸ ALDH1A1 P00352 4/20 0.52
▸ MEN1 O00255 3/20 0.51
▸ KMT2A Q03164 3/20 0.51
▸ DHODH Q02127 1/20 0.50
▸ NPC1 O15118 1/20 0.49
▸ RAB9A P51151 1/20 0.49
▸ GAA P10253 1/20 0.49
▸ SIGMAR1 Q99720 2/20 0.49
▸ HPGD P15428 1/20 0.48
▸ HTT P42858 1/20 0.48
▸ NPSR1 Q6W5P4 1/20 0.48
▸ CYP1A2 P05177 1/20 0.47
▸ CYP3A4 P08684 1/20 0.47
▸ CYP2D6 P10635 1/20 0.47
▸ CYP2C9 P11712 1/20 0.47
▸ CYP2C19 P33261 1/20 0.47
▸ NPY1R P25929 1/20 0.46
▸ NPY2R P49146 1/20 0.46
▸ THRB P10828 1/20 0.45

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
SCHEMBL3543982 0.87 ALDH1A1 (0.43) MAPTALDH1A1MEN1KMT2AHTT
SCHEMBL10047063 0.85 MAPT (0.52) MAPTALDH1A1MEN1KMT2ADHODH
SCHEMBL6350542 0.84 PDK1 (0.64) ABCC9ABCC8KCNJ11KCNJ8
SCHEMBL6350423 0.84 PDK1 (0.64) ABCC9ABCC8KCNJ11KCNJ8
SCHEMBL15072456 0.83 NPC1 (0.47) ALDH1A1MEN1KMT2ANPC1RAB9A
SCHEMBL17666342 0.83 MEN1 (0.61) ALDH1A1MEN1KMT2ANPC1RAB9A
SCHEMBL31602906 0.81 NPC1 (0.56) MAPTALDH1A1MEN1KMT2ANPC1
SCHEMBL6555297 0.81 NPC1 (0.56) MAPTALDH1A1MEN1KMT2ANPC1
SCHEMBL15058961 0.81 ALDH1A1 (0.50) MAPTALDH1A1MEN1KMT2ASIGMAR1
SCHEMBL20749950 0.81 MAPK1 (0.50) MAPTALDH1A1RAB9ACYP1A2CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3517524-B1 PARASITICIDAL COMPOSITIONS COMPRISING INDOLE DERIVATIVES, METHODS AND USES THEREOF BOEHRINGER INGELHEIM ANIMAL HEALTH USA INC (US) 2021-05-26 — — EP disclosed
EP-3517524-B1 PARASITICIDAL COMPOSITIONS COMPRISING INDOLE DERIVATIVES, METHODS AND USES THEREOF BOEHRINGER INGELHEIM ANIMAL HEALTH USA INC (US) 2021-05-26 — — EP disclosed
EP-3517524-A1 PARASITICIDAL COMPOSITIONS COMPRISING INDOLE DERIVATIVES, METHODS AND USES THEREOF Merial Inc. (US) 2019-07-31 — — EP disclosed
US-10251863-B2 Parasiticidal compositions comprising indole derivatives, methods and uses thereof MERIAL INC. (US) 2019-04-09 — — US disclosed
US-10251863-B2 Parasiticidal compositions comprising indole derivatives, methods and uses thereof MERIAL INC. (US) 2019-04-09 — — US disclosed
EP-3157912-B1 PARASITICIDAL COMPOSITIONS COMPRISING INDOLE DERIVATIVES, METHODS AND USES THEREOF MERIAL INC (US) 2019-02-20 — — EP disclosed
EP-3157912-B1 PARASITICIDAL COMPOSITIONS COMPRISING INDOLE DERIVATIVES, METHODS AND USES THEREOF MERIAL INC (US) 2019-02-20 — — EP disclosed
US-20170290803-A1 PARASITICIDAL COMPOSITIONS COMPRISING INDOLE DERIVATIVES, METHODS AND USES THEREOF MERIAL, INC. (US) 2017-10-12 — — US disclosed
US-20170290803-A1 PARASITICIDAL COMPOSITIONS COMPRISING INDOLE DERIVATIVES, METHODS AND USES THEREOF MERIAL, INC. (US) 2017-10-12 — — US disclosed
US-20170290803-A1 PARASITICIDAL COMPOSITIONS COMPRISING INDOLE DERIVATIVES, METHODS AND USES THEREOF MERIAL, INC. (US) 2017-10-12 — — US disclosed
EP-1648905-A1 THIENOPYRIDINE AND FUROPYRIDINE KINASE INHIBITORS Abbott Laboratories (US) 2006-04-26 — — EP disclosed
US-20050043347-A1 Thienopyridine and furopyridine kinase inhibitors ABBVIE INC. 2005-02-24 — — US disclosed
WO-2005010009-A1 THIENOPYRIDINE AND FUROPYRIDINE KINASE INHIBITORS ABBOTT LABORATORIES (US) 2005-02-03 — — WO disclosed
US-20050026944-A1 Thienopyridine and furopyridine kinase inhibitors ABBOTT LABORATORIES 2005-02-03 — — US disclosed
CN-1186328-C Substd. 5-benzyl-2,4-diaminopyrimidines BASLIDE PHARMA AG (CH) 2005-01-26 — — CN disclosed
EP-1230224-B1 SUBSTITUTED 5-BENZYL-2,4-DIAMINOPYRIMIDINES BASILEA PHARMACEUTICA AG (CH) 2004-12-29 — — EP disclosed
US-6821980-B1 Substituted 5-benzyl-2,4-diaminopyrimidines BASILEA PHARMACEUTICA AG (CH) 2004-11-23 — — US disclosed
CN-1387516-A Substd. 5-benzyl-2,4-diaminopyrimidines BASLIDE PHARMA AG (CH) 2002-12-25 — — CN disclosed
EP-1230224-A1 SUBSTITUTED 5-BENZYL-2,4-DIAMINOPYRIMIDINES F. HOFFMANN-LA ROCHE AG (CH) 2002-08-14 — — EP disclosed
WO-2001032633-A1 SUBSTITUTED 5-BENZYL-2,4-DIAMINOPYRIMIDINES BASILEA PHARMACEUTICA AG (CH) 2001-05-10 — — 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-20050026944-A1 Thienopyridine and furopyridine kinase inhibitors ABL1, ERBB2, LCK MAPT 2008/4885ALDH1A1 1899/4885MEN1 2197/4885
US-20050043347-A1 Thienopyridine and furopyridine kinase inhibitors ABL1, ERBB2, LCK MAPT 2008/4885ALDH1A1 1899/4885MEN1 2197/4885
US-10251863-B2 Parasiticidal compositions comprising indole derivatives, methods and uses thereof IDO1, IDO2, MMP1 MAPT 3434/4885ALDH1A1 663/4885MEN1 2999/4885
US-20170290803-A1 PARASITICIDAL COMPOSITIONS COMPRISING INDOLE DERIVATIVES, METHODS AND USES THEREOF IDO1, IDO2, MMP1 MAPT 3434/4885ALDH1A1 663/4885MEN1 2999/4885

“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.