Sugi Predict

Sugi Predict / Compounds / SCHEMBL528504

SCHEMBL528504

SCHEMBL528504

Clc1cnnc(Cl)c1-c1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GABRA1 P14867 2/20 0.39
▸ GABRG2 P18507 2/20 0.39
▸ GABRB3 P28472 2/20 0.39
▸ GABRA5 P31644 2/20 0.39
▸ GABRA3 P34903 2/20 0.39
▸ CYP2A6 P11509 1/20 0.37
▸ NPC1 O15118 3/20 0.36
▸ RAB9A P51151 3/20 0.36
▸ MAPK1 P28482 2/20 0.36
▸ HTT P42858 3/20 0.35
▸ KMT2A Q03164 3/20 0.35
▸ MEN1 O00255 2/20 0.35
▸ KDM4E B2RXH2 2/20 0.35
▸ PKM P14618 1/20 0.35
▸ MAPT P10636 2/20 0.34
▸ CYP1A2 P05177 1/20 0.34
▸ LMNA P02545 1/20 0.34
▸ PTGS1 P23219 1/20 0.34
▸ PTGS2 P35354 1/20 0.34
▸ ALDH1A1 P00352 2/20 0.33

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
SCHEMBL4805776 0.83 KDM4E (0.38) CYP2A6NPC1RAB9AMAPK1KDM4E
SCHEMBL10963157 0.82 SMN1; SMN2 (0.39) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL4803668 0.82 MAPT (0.39) NPC1RAB9AMAPK1HTTKDM4E
SCHEMBL28198680 0.80 MAPK1 (0.39) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL10953892 0.80 MAPT (0.41) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL2872995 0.79 NPC1 (0.48) CYP2A6NPC1RAB9AMAPK1HTT
SCHEMBL22638199 0.78 CYP11B2 (0.41) CYP2A6CYP1A2ALDH1A1NPSR1HPGD
SCHEMBL11516978 0.76 DHFR (0.42) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL5005154 0.74 NOTUM (0.45) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL723656 0.73 GRIA1 (0.43) CYP2A6NPC1RAB9AMAPK1HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10799510-B2 Derivatives of 6-substituted triazolopyridazines as Rev-Erb agonists GENFIT (FR) 2020-10-13 — — US disclosed
US-20170296548-A1 DERIVATIVES OF 6-SUBSTITUTED TRIAZOLOPYRIDAZINES AS REV-ERB AGONISTS GENFIT (FR) 2017-10-19 — — US disclosed
US-9586963-B2 Derivatives of 6-substituted triazolopyridazines as Rev-Erb agonists GENFIT (FR) 2017-03-07 — — US disclosed
EP-2592075-B1 PYRIDAZINE COMPOUNDS FOR THE TREATMENT OF INFLAMMATORY DISEASES UNIV NORTHWESTERN (US) 2015-04-29 — — EP disclosed
US-20150038503-A1 DERIVATIVES OF 6-SUBSTITUTED TRIAZOLOPYRIDAZINES AS REV-ERB AGONISTS GENFIT (FR) 2015-02-05 — — US disclosed
EP-2760866-A1 DERIVATIVES OF 6-SUBSTITUTED TRIAZOLOPYRIDAZINES AS REV-ERB AGONISTS Genfit (FR) 2014-08-06 — — EP disclosed
EP-2598505-A2 SUBSTITUTED IMIDAZO[1,2-B]PYRIDAZINES Bayer Intellectual Property GmbH (DE) 2013-06-05 — — EP disclosed
WO-2013045519-A1 DERIVATIVES OF 6-SUBSTITUTED TRIAZOLOPYRIDAZINES AS REV-ERB AGONISTS GENFIT (FR) 2013-04-04 — — WO disclosed
WO-2012013713-A2 SUBSTITUTED IMIDAZO[1,2-B]PYRIDAZINES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2012-02-02 — — WO disclosed
EP-1718309-A2 ANORECTIC COMPOUNDS Japan Tobacco, Inc. (JP) 2006-11-08 — — EP disclosed
US-6960584-B2 Inhibitors of Akt activity MERCK & CO., INC. (US) 2005-11-01 — — US disclosed
WO-2005072740-A2 ANORECTIC COMPOUNDS JAPAN TOBACCO INC. (JP) 2005-08-11 — — WO disclosed
EP-1496981-A2 METHOD OF TREATING CANCER Merck & Co., Inc. (US) 2005-01-19 — — EP disclosed
US-20040116432-A1 Inhibitors of akt activity MERCK SHARP & DOHME LTD. (GB) 2004-06-17 — — US disclosed
US-20040106540-A1 Method of treating cancer BARNETT STANLEY F (US) 2004-06-03 — — US disclosed
US-20040102360-A1 Combination therapy BARNETT STANLEY F (US) 2004-05-27 — — US disclosed
EP-1379250-A2 A METHOD OF TREATING CANCER Merck & Co., Inc. (US) 2004-01-14 — — EP disclosed
WO-2003084473-A2 METHOD OF TREATING CANCER MERCK & CO., INC. (US) 2003-10-16 — — WO disclosed
WO-2002083675-A2 INHIBITORS OF AKT ACTIVITY MERCK SHARP & DOHME LIMITED (GB) 2002-10-24 — — WO disclosed
WO-2002083064-A2 A METHOD OF TREATING CANCER MERCK & CO., INC. (US) 2002-10-24 — — 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-20040102360-A1 Combination therapy MTOR, AKT2, PLK1 GABRA1 4513/4885GABRG2 4280/4885GABRB3 4320/4885
US-10799510-B2 Derivatives of 6-substituted triazolopyridazines as Rev-Erb agonists NR1D1, NR1D2, PER2 GABRA1 1632/4885GABRG2 1909/4885GABRB3 1175/4885
US-20170296548-A1 DERIVATIVES OF 6-SUBSTITUTED TRIAZOLOPYRIDAZINES AS REV-ERB AGONISTS NR1D1, NR1D2, PER2 GABRA1 1632/4885GABRG2 1909/4885GABRB3 1175/4885
US-20040106540-A1 Method of treating cancer PACSIN2, CTTN, PLK1 GABRA1 4046/4885GABRG2 3403/4885GABRB3 2981/4885
US-20150038503-A1 DERIVATIVES OF 6-SUBSTITUTED TRIAZOLOPYRIDAZINES AS REV-ERB AGONISTS NR1D1, NR1D2, PER2 GABRA1 1632/4885GABRG2 1909/4885GABRB3 1175/4885

“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.