Sugi Predict

Sugi Predict / Compounds / SCHEMBL759019

SCHEMBL759019

SCHEMBL759019

[c]1ccc(CN2CCNCC2)cc1

nearest known ligand 0.66

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ SIGMAR1 Q99720 1/20 0.66
▸ CXCR4 P61073 12/20 0.61
▸ MEN1 O00255 2/20 0.59
▸ KMT2A Q03164 2/20 0.59
▸ CHRM2 P08172 1/20 0.59
▸ CHRM1 P11229 1/20 0.59
▸ ADRA2C P18825 1/20 0.59
▸ CCR2 P41597 1/20 0.59
▸ CXCL12 P48061 1/20 0.59
▸ BLM P54132 1/20 0.59
▸ TDP1 Q9NUW8 1/20 0.59
▸ HRH3 Q9Y5N1 1/20 0.59
▸ ALDH1A1 P00352 1/20 0.46
▸ CYP2C9 P11712 1/20 0.46
▸ TSHR P16473 1/20 0.46
▸ CYP2C19 P33261 1/20 0.46
▸ HIF1A Q16665 1/20 0.46
▸ USP2 O75604 1/20 0.45
▸ HPGD P15428 1/20 0.44

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
Hydrochloric Acid SCHEMBL5573232 0.83 CXCR4 (0.78) SIGMAR1CXCR4MEN1KMT2ACHRM2
SCHEMBL1259387 0.83 CXCR4 (0.81) SIGMAR1CXCR4MEN1KMT2ACHRM2
Bromide SCHEMBL1257550 0.81 CXCR4 (0.78) SIGMAR1CXCR4MEN1KMT2ACHRM2
SCHEMBL738784 0.81 HRH3 (0.67) CXCR4HRH3ALDH1A1CYP2C19
SCHEMBL7356340 0.81 HRH3 (0.60) SIGMAR1CXCR4MEN1KMT2ACHRM2
SCHEMBL6232146 0.81 KCNH2 (0.55) SIGMAR1CXCR4TDP1HRH3
SCHEMBL152631 0.79 SIGMAR1 (1.00) SIGMAR1CXCR4MEN1KMT2ACHRM2
SCHEMBL276363 0.79 SIGMAR1 (1.00) SIGMAR1CXCR4MEN1KMT2ACHRM2
SCHEMBL83548 0.79 SIGMAR1 (1.00) SIGMAR1CXCR4MEN1KMT2ACHRM2
SCHEMBL6138636 0.79 SIGMAR1 (1.00) SIGMAR1CXCR4MEN1KMT2ACHRM2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130237520-A1 IMIDAZOPYRAZINE SYK INHIBITORS GILEAD CONNECTICUT, INC. (US) 2013-09-12 — — US claimed
US-20120053345-A1 Indazole Compounds ABBOTT LABORATORIES (US) 2012-03-01 — — US claimed
CN-102307474-A Imidazopyrazine SYK inhibitors CGI PHARMACEUTICALS INC 2012-01-04 — — CN claimed
EP-2373169-A1 IMIDAZOPYRAZINE SYK INHIBITORS Gilead Connecticut, Inc. (US) 2011-10-12 — — EP claimed
US-8008481-B2 Indazole compounds ABBVIE INC. 2011-08-30 — — US claimed
US-20100222323-A1 IMIDAZOPYRAZINE SYK INHIBITORS Kronos Bio, Inc. 2010-09-02 — — US claimed
WO-2010068257-A1 IMIDAZOPYRAZINE SYK INHIBITORS CGI PHARMACEUTICALS, INC. (US) 2010-06-17 — — WO claimed
US-20090118276-A1 THIENOPYRIMIDINES, THIENOPYRIDINES, AND PYRROLOPYRIMIDINES AS B-RAF INHIBITORS WYETH (US) 2009-05-07 — — US claimed
WO-2009059272-A1 THIENOPYRIMIDINES, THIENOPYRIDINES, AND PYRROLOPYRIMIDINES AS B-RAF INHIBITORS WYETH (US) 2009-05-07 — — WO claimed
EP-2001480-A2 INDAZOLE COMPOUNDS Abbott Laboratories (US) 2008-12-17 — — EP claimed
US-20070282101-A1 Indazole compounds ABBVIE INC. 2007-12-06 — — US claimed
WO-2007117465-A2 INDAZOLE COMPOUNDS ABBOTT LABORATORIES (US) 2007-10-18 — — WO claimed
CN-107690434-B Fused tricyclic imidazopyrazine derivatives as modulators of TNF activity UCB生物制药私人有限公司 2021-07-30 — — CN disclosed
CN-105829307-B Tetrahydroimidazopyridine derivatives as modulators of TNF activity UCB生物制药私人有限公司 2020-07-24 — — CN disclosed
EP-3080128-B1 IMIDAZOPYRIDAZINE DERIVATIVES AS MODULATORS OF TNF ACTIVITY UCB Biopharma SRL (BE) 2020-06-24 — — EP disclosed
EP-3080127-B1 IMIDAZOPYRIMIDINE DERIVATIVES AS MODULATORS OF TNF ACTIVITY UCB Biopharma SRL (BE) 2020-06-24 — — EP disclosed
EP-0993448-A1 (AMIDINO)6-MEMBERED AROMATICS AS FACTOR Xa INHIBITORS THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 2000-04-19 — — EP disclosed
WO-1999002532-A2 PARTIALLY HYDROGENATED POLYCYCLIC COMPOUNDS NOVARTIS AG (CH) 1999-01-21 — — WO disclosed
WO-1998057934-A1 (AMIDINO)6-MEMBERED AROMATICS AS FACTOR Xa INHIBITORS THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1998-12-23 — — WO disclosed
CN-1190401-A C-4' modified adenosine kinase inhibitors GENSIA INC (US) 1998-08-12 — — CN 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-20070282101-A1 Indazole compounds CYP3A43, CYP3A7, UGT1A1 SIGMAR1 1315/4885CXCR4 2325/4885MEN1 878/4885
US-20130237520-A1 IMIDAZOPYRAZINE SYK INHIBITORS SYK, BTK, ZAP70 SIGMAR1 4144/4885CXCR4 3494/4885MEN1 4290/4885
US-20090118276-A1 THIENOPYRIMIDINES, THIENOPYRIDINES, AND PYRROLOPYRIMIDINES AS B-RAF INHIBITORS BRAF, ARAF, RAF1 SIGMAR1 4738/4885CXCR4 1605/4885MEN1 4195/4885
US-20120053345-A1 Indazole Compounds CYP3A43, CYP3A7, UGT1A1 SIGMAR1 1315/4885CXCR4 2325/4885MEN1 878/4885
US-20100222323-A1 IMIDAZOPYRAZINE SYK INHIBITORS SYK, BTK, ZAP70 SIGMAR1 4144/4885CXCR4 3494/4885MEN1 4290/4885

“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.