Sugi Predict

Sugi Predict / Compounds / SCHEMBL4062071

SCHEMBL4062071

SCHEMBL4062071

N#Cc1cccnc1C=O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LRRK2 Q5S007 1/20 0.41
▸ TRIM24 O15164 1/20 0.38
▸ TRIM33 Q9UPN9 1/20 0.38
▸ HPGD P15428 5/20 0.38
▸ ALDH1A1 P00352 5/20 0.38
▸ HTT P42858 1/20 0.38
▸ SMN1; SMN2 Q16637 2/20 0.37
▸ CYP1A2 P05177 1/20 0.37
▸ CYP3A4 P08684 1/20 0.37
▸ CYP2D6 P10635 1/20 0.37
▸ CYP2C9 P11712 1/20 0.37
▸ CYP2C19 P33261 1/20 0.37
▸ ELANE P08246 1/20 0.37
▸ NPC1 O15118 1/20 0.37
▸ POLB P06746 1/20 0.37
▸ RAB9A P51151 1/20 0.37
▸ KDM4E B2RXH2 3/20 0.37
▸ SLC40A1 Q9NP59 1/20 0.37
▸ RECQL P46063 1/20 0.37
▸ CNR2 P34972 1/20 0.37

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
SCHEMBL2978064 0.80 LRRK2 (0.41) LRRK2HPGDALDH1A1HTTSMN1; SMN2
SCHEMBL27889923 0.80 TRIM24 (0.38) TRIM24TRIM33ALDH1A1SMN1; SMN2NPC1
SCHEMBL19620498 0.77 LRRK2 (0.39) LRRK2HPGDALDH1A1HTTSMN1; SMN2
SCHEMBL30684932 0.76 ELANE (0.41) LRRK2HPGDALDH1A1HTTSMN1; SMN2
SCHEMBL21645908 0.74 NPC1 (0.43) HPGDALDH1A1SMN1; SMN2CYP1A2CYP3A4
SCHEMBL31147724 0.74 CYP11B1 (0.43) LRRK2HPGDALDH1A1NPC1POLB
SCHEMBL3958132 0.74 TRIM24 (0.34) TRIM24TRIM33HPGDALDH1A1CYP1A2
SCHEMBL13415710 0.73 ALDH1A1 (0.41) LRRK2HPGDALDH1A1HTTSMN1; SMN2
SCHEMBL11509052 0.73 ALDH1A1 (0.41) LRRK2HPGDALDH1A1HTTSMN1; SMN2
SCHEMBL11509053 0.73 ALDH1A1 (0.41) LRRK2HPGDALDH1A1HTTSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 — — US disclosed
EP-2842944-B1 METHOD FOR PRODUCING NITROGEN-CONTAINING HETEROCYCLIC COMPOUND NIPPON SODA CO (JP) 2017-03-15 — — EP disclosed
EP-2557078-B1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND AND METHOD FOR PRODUCING SAME NIPPON SODA CO (JP) 2016-03-23 — — EP disclosed
EP-2730561-B1 Methods to prepare haloalkyl nitrogen-containing heterocyclic compounds NIPPON SODA CO (JP) 2015-10-14 — — EP disclosed
US-8981107-B2 Nitrogen-containing heterocyclic compound and method for producing same NIPPON SODA CO., LTD. (JP) 2015-03-17 — — US disclosed
EP-2842944-A1 Method for producing nitrogen-containing heterocyclic compound NIPPON SODA CO., LTD. (JP) 2015-03-04 — — EP disclosed
US-8962850-B2 Nitrogen-containing heterocyclic compound and method for producing same NIPPON SODA CO., LTD. (JP) 2015-02-24 — — US disclosed
US-8962849-B2 Nitrogen-containing heterocyclic compound and method for producing same NIPPON SODA CO., LTD. (JP) 2015-02-24 — — US disclosed
US-8809544-B2 Nitrogen-containing heterocyclic compound and method for producing same NIPPON SODA CO., LTD. (JP) 2014-08-19 — — US disclosed
US-20140194629-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND AND METHOD FOR PRODUCING SAME NIPPON SODA CO., LTD. (JP) 2014-07-10 — — US disclosed
EP-1317445-B1 CHEMOKINE RECEPTOR BINDING HETEROCYCLIC COMPOUNDS ANORMED INC (CA) 2009-03-11 — — EP disclosed
EP-2017275-A1 BENZISOXAZOLE COMPOUND Eisai R&D Management Co., Ltd. (JP) 2009-01-21 — — EP disclosed
US-7396840-B2 Chemokine receptor binding heterocyclic compounds GENZYME CORPORATION (US) 2008-07-08 — — US disclosed
US-7084155-B2 Chemokine receptor binding heterocyclic compounds ANORMED (CA) 2006-08-01 — — US disclosed
US-20060128750-A1 Chemokine receptor binding heterocyclic compounds GENZYME CORPORATION 2006-06-15 — — US disclosed
US-6864265-B2 Chemokine receptor binding heterocyclic compounds ANORMED, INC. (CA) 2005-03-08 — — US disclosed
US-20040220207-A1 Chemokine receptor binding heterocyclic compounds GENZYME CORPORATION 2004-11-04 — — US disclosed
EP-1317445-A2 CHEMOKINE RECEPTOR BINDING HETEROCYCLIC COMPOUNDS ANORMED INC. (CA) 2003-06-11 — — EP disclosed
US-20030018046-A1 Chemokine receptor binding heterocyclic compounds GENZYME CORPORATION 2003-01-23 — — US disclosed
WO-2002022600-A2 CHEMOKINE RECEPTOR BINDING HETEROCYCLIC COMPOUNDS ANORMED INC. (CA) 2002-03-21 — — 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-20040220207-A1 Chemokine receptor binding heterocyclic compounds CXCR3, ACKR3, CCR2 LRRK2 1149/4885TRIM24 1715/4885TRIM33 2273/4885
US-20060128750-A1 Chemokine receptor binding heterocyclic compounds CXCR4, CCR5, CXCR3 LRRK2 673/4885TRIM24 1320/4885TRIM33 2609/4885
US-20030018046-A1 Chemokine receptor binding heterocyclic compounds CXCR3, ACKR3, CCR2 LRRK2 1149/4885TRIM24 1715/4885TRIM33 2273/4885
US-20140194629-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND AND METHOD FOR PRODUCING SAME NOS1, NOS2, NOS3 LRRK2 872/4885TRIM24 2713/4885TRIM33 3800/4885

“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.