Sugi Predict

Sugi Predict / Compounds / SCHEMBL227130

SCHEMBL227130

SCHEMBL227130

O=[C]Nc1ccccc1Cl

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 2/20 0.44
▸ HPGD P15428 1/20 0.44
▸ CYP2C19 P33261 1/20 0.44
▸ MEN1 O00255 6/20 0.42
▸ KMT2A Q03164 6/20 0.42
▸ LMNA P02545 4/20 0.41
▸ TSHR P16473 3/20 0.41
▸ MAPT P10636 4/20 0.40
▸ NPC1 O15118 4/20 0.40
▸ RAB9A P51151 4/20 0.40
▸ KDM4E B2RXH2 3/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ CXCL8 P10145 1/20 0.39
▸ POLB P06746 2/20 0.38
▸ TAS1R3 Q7RTX0 1/20 0.38
▸ TAS1R1 Q7RTX1 1/20 0.38
▸ TAS1R2 Q8TE23 1/20 0.38
▸ CASP3 P42574 1/20 0.38
▸ SENP8 Q96LD8 1/20 0.38
▸ SENP7 Q9BQF6 1/20 0.38

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
SCHEMBL448937 0.82 MEN1 (0.50) HPGDMEN1KMT2ALMNATSHR
SCHEMBL11463688 0.82 L3MBTL1 (0.37) HPGDLMNANPC1RAB9AKDM4E
SCHEMBL2099071 0.79 MAPT (0.51) CYP1A2HPGDCYP2C19MEN1KMT2A
SCHEMBL1268879 0.76 ALDH1A1 (0.44) CYP1A2HPGDCYP2C19MEN1KMT2A
SCHEMBL3168133 0.76 ALDH1A1 (0.43) CYP1A2HPGDCYP2C19MEN1KMT2A
SCHEMBL2094422 0.74 RAF1 (0.42) HPGDMEN1KMT2ALMNAKDM4E
SCHEMBL14855632 0.74 CYP2A6 (0.52) CYP1A2MEN1KMT2ALMNATSHR
SCHEMBL2094076 0.73 CYP1A2 (0.38) CYP1A2MEN1KMT2ALMNATSHR
SCHEMBL1758628 0.73 MEN1 (0.50) HPGDMEN1KMT2AMAPTALDH1A1
SCHEMBL18444730 0.73 MEN1 (0.41) CYP1A2HPGDCYP2C19MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110046368-A1 LIGANDS OF 5-HT6 RECEPTORS, A PHARMACEUTICAL COMPOSITION, METHOD FOR THE PRODUCTION AND USE THEREOF IVASHCHENKO ANDREY ALEXANDROVICH 2011-02-24 — — US claimed
EP-2184064-A2 LIGANDS OF 5-HT6 RECEPTORS, A PHARMACEUTICAL COMPOSITION, METHOD FOR THE PRODUCTION AND USE THEREOF Alla Chem, LLC. (US) 2010-05-12 — — EP claimed
EP-2004653-B1 3-SUBSTITUTED N-(ARYL- OR HETEROARYL)-PYRAZO[1,5-A]PYRIMIDINES AS KINASE INHIBITORS NOVARTIS AG (CH) 2009-12-30 — — EP claimed
US-20090275593-A1 3 Substituted N-(aryl- or heteroaryl)-pyrazolo[1,5-a]pyrimidines as Kinase Inhibitors NOVARTIS AG 2009-11-05 — — US claimed
EP-2042491-A1 Pyridazines as fungicides Bayer CropScience AG (DE) 2009-04-01 — — EP claimed
EP-2004653-A1 3-SUBSTITUTED N-(ARYL- OR HETEROARYL)-PYRAZO[1,5-a]PYRIMIDINES AS KINASE INHIBITORS Novartis AG (CH) 2008-12-24 — — EP claimed
WO-2007113000-A1 3-SUBSTITUTED N-(ARYL- OR HETEROARYL)-PYRAZO[1,5-a]PYRIMIDINES AS KINASE INHIBITORS NOVARTIS AG (CH) 2007-10-11 — — WO claimed
EP-1189891-A1 TRIAZOLE COMPOUNDS AND COMBINATORIAL LIBRARIES THEREOF LION Bioscience AG (DE) 2002-03-27 — — EP claimed
US-6362342-B1 BIOSYNTHESIS; DRUG LIBRARIES LION BIOSCIENCE AG (DE) 2002-03-26 — — US claimed
EP-0688775-B1 Method for the purification of 23 -E isomers of 23-imino derivatives of LL-F28249 compounds AMERICAN CYANAMID CO (US) 2002-03-06 — — EP claimed
US-4886829-A ANTHELMINTICS, NEMATICIDES, MITICIDES, INSECTICIDES; CROPS AND MAMMALS AMERICAN CYANAMID COMPANY (US) 1989-12-12 — — US claimed
US-4877888-A INSECTICIDES, PARASITICIDES, NEMATICIDES, ACARICIDES AMERICAN CYANAMID COMPANY (US) 1989-10-31 — — US claimed
EP-0293549-A1 23-Oxo (keto) and 23-imino derivatives of mono- and diepoxy LL-F28249 compounds AMERICAN CYANAMID COMPANY (US) 1988-12-07 — — EP claimed
EP-0260537-A1 13-Deoxy-23-oxo(keto) and 23-imino derivatives of 13-deoxy C-076-aglycone compounds AMERICAN CYANAMID COMPANY (US) 1988-03-23 — — EP claimed
EP-0260536-A2 23-imino derivatives of 23-keto compounds useful as pesticides. AMERICAN CYANAMID COMPANY (US) 1988-03-23 — — EP claimed
EP-0259779-A1 23-Oxo (Keto) and 23-imino Derivatives of LL-F28249 Compounds AMERICAN CYANAMID COMPANY (US) 1988-03-16 — — EP claimed
EP-0054865-B1 SUBSTITUTED 1-AZOLYL-BUTAN-2-ONES, THEIR PREPARATION AND THEIR APPLICATION AS FUNGICIDES AS WELL AS INTERMEDIATES BAYER AG (DE) 1986-02-26 — — EP claimed
EP-0083750-B1 ANTIMYCOTIC AZOLYL BUTANOLS BAYER AG (DE) 1985-08-07 — — EP claimed
US-4116953-A 2-PHENYL-3,1-BENZOXAZIN-4-ONES, PIGMENTS BASF AKTIENGESELLSCHAFT (DE) 1978-09-26 — — US claimed
US-4042591-A PIGMENTS, DISPERSE DYES SANDOZ LTD. (CH) 1977-08-16 — — US claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 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-20090275593-A1 3 Substituted N-(aryl- or heteroaryl)-pyrazolo[1,5-a]pyrimidines as Kinase Inhibitors TIE1, TEK, MATK CYP1A2 1967/4885HPGD 1970/4885CYP2C19 1553/4885
US-20110046368-A1 LIGANDS OF 5-HT6 RECEPTORS, A PHARMACEUTICAL COMPOSITION, METHOD FOR THE PRODUCTION AND USE THEREOF HTR6, HTR1A, HTR3B CYP1A2 659/4885HPGD 2376/4885CYP2C19 449/4885

“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.