Sugi Predict

Sugi Predict / Compounds / SCHEMBL207169

SCHEMBL207169

SCHEMBL207169

Clc1ccc2c(c1)[N]C=N2

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TP53 P04637 2/20 0.35
▸ ALDH1A1 P00352 4/20 0.32
▸ CYP3A4 P08684 4/20 0.32
▸ HSD17B10 Q99714 3/20 0.32
▸ ALOX15 P16050 2/20 0.32
▸ MEN1 O00255 2/20 0.32
▸ KMT2A Q03164 2/20 0.32
▸ F7 P08709 1/20 0.32
▸ F3 P13726 1/20 0.32
▸ DYRK1A Q13627 1/20 0.32
▸ PLA2G1B P04054 1/20 0.32
▸ HSP90AA1 P07900 1/20 0.32
▸ CYP2D6 P10635 1/20 0.32
▸ CYP2C9 P11712 1/20 0.32
▸ HPGD P15428 1/20 0.32
▸ CYP2C19 P33261 1/20 0.32
▸ HTT P42858 1/20 0.32
▸ HIF1A Q16665 1/20 0.32
▸ ATG4B Q9Y4P1 1/20 0.32
▸ TSHR P16473 7/20 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
SCHEMBL209209 0.73 CES1 (0.43) DYRK1AHSP90AA1AHRS100A4
SCHEMBL7449167 0.71 CYP1A2 (0.36) TP53ALDH1A1CYP3A4HSD17B10ALOX15
SCHEMBL4273814 0.67 CA12 (0.40) ALDH1A1CYP3A4HSD17B10MEN1KMT2A
SCHEMBL3654837 0.66 HTR2A (0.38) TP53HTTAHRACHE
SCHEMBL208891 0.66 AHR (0.40) TP53MEN1KMT2ASMN1; SMN2AHR
SCHEMBL21407243 0.64 MAPT (0.33) ALDH1A1TDP1MAPT
SCHEMBL17664095 0.63 TP53 (0.36) TP53ALDH1A1CYP3A4HSD17B10ALOX15
SCHEMBL14969240 0.63 XDH (0.44) TP53ALDH1A1CYP3A4ALOX15MEN1
SCHEMBL3703801 0.62 NR4A2 (0.35) TP53ALDH1A1CYP3A4HSD17B10ALOX15
SCHEMBL4671502 0.62 TP53 (0.35) TP53ALDH1A1CYP3A4HSD17B10ALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2215067-A1 AMINO-HETEROARYL-CONTAINING PROKINETICIN 1 RECEPTOR ANTAGONISTS Janssen Pharmaceutica, N.V. (BE) 2010-08-11 — — EP claimed
WO-2009058653-A1 AMINO-HETEROARYL-CONTAINING PROKINETICIN 1 RECEPTOR ANTAGONISTS JANSSEN PHARMACEUTICA N.V. (BE) 2009-05-07 — — WO claimed
EP-1925611-B1 OPTICALLY ACTIVE DIAMINE DERIVATIVE AND PROCESS FOR PRODUCING THE SAME DAIICHI SANKYO CO LTD (JP) 2016-04-13 — — EP disclosed
EP-2431370-B1 Monoacylated 1,2-diaminocycloalkanes DAIICHI SANKYO CO LTD (JP) 2013-06-19 — — EP disclosed
EP-1577301-B1 Antithrombotic diaminocyclohexane derivatives DAIICHI SANKYO CO LTD (JP) 2012-09-12 — — EP disclosed
EP-2431370-A1 Monoacylated 1,2-diaminocycloalkanes DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2012-03-21 — — EP disclosed
US-8088796-B2 Triamine derivative DAIICHI SANKYO COMPANY, LIMITED (JP) 2012-01-03 — — US disclosed
US-20110312990-A1 Diamine Derivatives DAIICHI SANKYO COMPANY, LIMITED (JP) 2011-12-22 — — US disclosed
US-8058440-B2 Process for producing 5-methyl-4,5,6,7-tetrahydrothiazolo[5,4-c]pyridine-2-carboxylic acid DAIICHI SANKYO COMPANY, LIMITED (JP) 2011-11-15 — — US disclosed
EP-2343290-A1 Diamine derivatives as factor X inhibitors Daiichi Sankyo Company, Limited (JP) 2011-07-13 — — EP disclosed
US-7935824-B2 Ethylenediamine derivatives DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2011-05-03 — — US disclosed
US-20050245565-A1 Diamine derivatives DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2005-11-03 — — US disclosed
EP-1577301-A1 DIAMINE DERIVATIVES DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2005-09-21 — — EP disclosed
EP-1577302-A1 NOVEL ETHYLENEDIAMINE DERIVATIVES DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2005-09-21 — — EP disclosed
US-20050119486-A1 Diamine derivatives DAIICHI SANKYO COMPANY, LIMITED (JP) 2005-06-02 — — US disclosed
US-20050020645-A1 Diamine derivatives DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2005-01-27 — — US disclosed
US-20040122063-A1 Ethylenediamine derivatives DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2004-06-24 — — US disclosed
EP-1415992-A1 DIAMINE DERIVATIVES DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2004-05-06 — — EP disclosed
EP-1405852-A1 DIAMINE DERIVATIVES DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2004-04-07 — — EP disclosed
EP-1270557-A1 ETHYLENEDIAMINE DERIVATIVES DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2003-01-02 — — EP 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-20050020645-A1 Diamine derivatives C9, C1S, C1R TP53 4113/4885ALDH1A1 3319/4885CYP3A4 1884/4885
US-20050245565-A1 Diamine derivatives C9, C1S, C1R TP53 4113/4885ALDH1A1 3319/4885CYP3A4 1884/4885
US-20050119486-A1 Diamine derivatives C9, C1S, C1R TP53 4113/4885ALDH1A1 3319/4885CYP3A4 1884/4885
US-20110312990-A1 Diamine Derivatives C9, C1S, C1R TP53 4056/4885ALDH1A1 3734/4885CYP3A4 1798/4885
US-20040122063-A1 Ethylenediamine derivatives ECE1, F2, ECE2 TP53 3477/4885ALDH1A1 2109/4885CYP3A4 315/4885

“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.