Sugi Predict

Sugi Predict / Compounds / SCHEMBL4490880

SCHEMBL4490880

SCHEMBL4490880

c1ccc2[nH]c(NCC3CCNCC3)nc2c1

nearest known ligand 0.58

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ PDGFRB P09619 1/20 0.58
▸ FGFR1 P11362 1/20 0.58
▸ KDR P35968 1/20 0.58
▸ SMN1; SMN2 Q16637 5/20 0.52
▸ RAB9A P51151 5/20 0.52
▸ TP53 P04637 1/20 0.52
▸ CHEK1 O14757 1/20 0.52
▸ BCHE P06276 1/20 0.50
▸ TRPC3 Q13507 1/20 0.50
▸ TRPC4 Q9UBN4 1/20 0.50
▸ TRPC5 Q9UL62 1/20 0.50
▸ NPC1 O15118 4/20 0.49
▸ PIM1 P11309 1/20 0.49
▸ GSK3A P49840 1/20 0.48
▸ GSK3B P49841 1/20 0.48
▸ TSHR P16473 2/20 0.46
▸ POLB P06746 1/20 0.46
▸ TDP1 Q9NUW8 1/20 0.46
▸ HTR3A P46098 1/20 0.46

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
Trifluoroacetic Acid SCHEMBL4527538 0.88 PDGFRB (0.51) PDGFRBFGFR1KDRSMN1; SMN2RAB9A
SCHEMBL3264961 0.84 BCHE (0.52) SMN1; SMN2RAB9ATP53BCHETRPC3
SCHEMBL5025662 0.84 SMN1; SMN2 (0.51) SMN1; SMN2RAB9ATP53BCHETRPC3
SCHEMBL3264962 0.84 BCHE (0.52) SMN1; SMN2RAB9ATP53BCHETRPC3
SCHEMBL5025659 0.84 SMN1; SMN2 (0.51) SMN1; SMN2RAB9ATP53BCHETRPC3
SCHEMBL4503740 0.81 PDGFRB (0.56) PDGFRBFGFR1KDRCHEK1PIM1
Hydrochloric Acid SCHEMBL4510299 0.80 PDGFRB (0.55) PDGFRBFGFR1KDRCHEK1PIM1
SCHEMBL1299032 0.79 IDO1 (0.67) PDGFRBFGFR1KDRSMN1; SMN2RAB9A
SCHEMBL5897564 0.78 HTR2B (0.53) SMN1; SMN2RAB9ATP53NPC1GSK3A
SCHEMBL8353209 0.78 ALDH1A1 (0.59) SMN1; SMN2RAB9ATP53NPC1PIM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8927534-B2 Compounds for the inhibition of integrins and use thereof SHIRE ORPHAN THERAPIES GMBH (DE) 2015-01-06 — — US disclosed
US-8927534-B2 Compounds for the inhibition of integrins and use thereof SHIRE ORPHAN THERAPIES GMBH (DE) 2015-01-06 — — US disclosed
US-20090104116-A1 COMPOUNDS FOR THE INHIBITION OF INTEGRINS AND USE THEREOF JERINI AG (DE) 2009-04-23 — — US disclosed
US-20090104116-A1 COMPOUNDS FOR THE INHIBITION OF INTEGRINS AND USE THEREOF JERINI AG (DE) 2009-04-23 — — US disclosed
US-7517875-B2 Piperidine derivatives having CCR3 antagonism TEIJIN LIMITED (JP) 2009-04-14 — — US disclosed
US-20080221082-A1 Ligands of Integrin Receptors ABBOTT GMBH & CO. KG (DE) 2008-09-11 — — US disclosed
WO-2007088041-A1 COMPOUNDS FOR THE INHIBITION OF INTEGRINS AND USE THEREOF JERINI AG (DE) 2007-08-09 — — WO disclosed
US-20070032525-A1 Piperidine derivatives having ccr3 antagonism TEIJIN LIMITED, A JAPANESE BODY CORPORATE (JP) 2007-02-08 — — US disclosed
US-7125883-B1 Integrin receptor ligands ABBOTT GMBH & CO. KG (DE) 2006-10-24 — — US disclosed
US-7105508-B1 Integrin receptors antagonists ABBOTT GMBH & CO. KG (DE) 2006-09-12 — — US disclosed
EP-1362046-A1 SUBSTITUTED PYRIMIDINONE DERIVATIVES AS LIGANDS OF INTEGRIN RECEPTORS Abbott GmbH & Co. KG (DE) 2003-11-19 — — EP disclosed
US-20030171368-A1 Pyrimidinonesulfamoylureas` SEITZ WERNER (DE) 2003-09-11 — — US disclosed
WO-2003066624-A1 PYRIMIDINONESULFAMOYLUREAS AS INTEGRIN LIGANDS ABBOTT GMBH & CO. KG (DE) 2003-08-14 — — WO disclosed
EP-1286673-A2 LIGANDS OF INTEGRIN RECEPTORS Basf Aktiengesellschaft (DE) 2003-03-05 — — EP disclosed
WO-2002068410-A1 SUBSTITUTED PYRIMIDINONE DERIVATIVES AS LIGANDS OF INTEGRIN RECEPTORS ABBOTT GMBH & CO. KG (DE) 2002-09-06 — — WO disclosed
EP-1202988-A2 NOVEL INTEGRIN RECEPTOR ANTAGONISTS BASF AKTIENGESELLSCHAFT (DE) 2002-05-08 — — EP disclosed
EP-1171435-A2 PYRIMIDINE-2-ONE DERIVATIVES AS INTEGRIN RECEPTOR LIGANDS BASF AKTIENGESELLSCHAFT (DE) 2002-01-16 — — EP disclosed
WO-2001093840-A2 LIGANDS OF INTEGRIN RECEPTORS BASF AG (DE) 2001-12-13 — — WO disclosed
WO-2001010847-A2 NOVEL INTEGRIN RECEPTOR ANTAGONISTS BASF AKTIENGESELLSCHAFT (DE) 2001-02-15 — — WO disclosed
WO-2000061551-A2 PYRIMIDINE-2-ONE DERIVATIVES AS INTEGRIN RECEPTOR LIGANDS BASF AKTIENGESELLSCHAFT (DE) 2000-10-19 — — 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-20030171368-A1 Pyrimidinonesulfamoylureas` ITGB1, ITGA1, ITGAM PDGFRB 33/4885FGFR1 700/4885KDR 153/4885
US-20070032525-A1 Piperidine derivatives having ccr3 antagonism CCR3, CCR1, CCR4 PDGFRB 768/4885FGFR1 2132/4885KDR 3938/4885
US-20080221082-A1 Ligands of Integrin Receptors ITGB3, ITGAV, ITGA2B PDGFRB 64/4885FGFR1 1750/4885KDR 48/4885
US-20090104116-A1 COMPOUNDS FOR THE INHIBITION OF INTEGRINS AND USE THEREOF ITGA1, ITGB1, ITGA5 PDGFRB 21/4885FGFR1 137/4885KDR 24/4885

“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.