SCHEMBL2233696

SCHEMBL2233696

CCCc1c(Cl)ncnc1Cl

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.41
LMNA P02545 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
SELE P16581 1/20 0.37
VCAM1 P19320 1/20 0.37
NOS2 P35228 1/20 0.36
OPRK1 P41145 1/20 0.36
ENPP1 P22413 2/20 0.35
KDM4E B2RXH2 1/20 0.34
GAA P10253 1/20 0.34
HPGD P15428 1/20 0.34
TYMP P19971 1/20 0.33
NOTUM Q6P988 1/20 0.33
PDE4A P27815 1/20 0.32
PDE4B Q07343 1/20 0.32
PDE4C Q08493 1/20 0.32
PDE4D Q08499 1/20 0.32
F2RL1 P55085 2/20 0.31
GALR3 O60755 1/20 0.31
DYRK1A Q13627 1/20 0.30

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
SCHEMBL857518 0.87 ALDH1A1 (0.37) ALDH1A1LMNASMN1; SMN2SELEVCAM1
SCHEMBL12495916 0.86 ALDH1A1 (0.39) ALDH1A1LMNASMN1; SMN2SELEVCAM1
SCHEMBL3322337 0.84 TYMP (0.39) ALDH1A1LMNASMN1; SMN2SELEVCAM1
SCHEMBL4762460 0.83 ALDH1A1 (0.35) ALDH1A1LMNASMN1; SMN2SELEVCAM1
SCHEMBL4453790 0.82 TYMP (0.41) ALDH1A1LMNASMN1; SMN2KDM4EGAA
SCHEMBL6704220 0.82 ALDH1A1 (0.42) ALDH1A1LMNASMN1; SMN2SELEVCAM1
SCHEMBL4773122 0.82 ALDH1A1 (0.34) ALDH1A1LMNASMN1; SMN2SELEVCAM1
SCHEMBL1899247 0.79 ALDH1A1 (0.44) ALDH1A1LMNASMN1; SMN2SELEVCAM1
SCHEMBL25688186 0.79 ALDH1A1 (0.33) ALDH1A1LMNASMN1; SMN2NOS2
SCHEMBL783004 0.75 ALDH1A1 (0.37) ALDH1A1LMNASMN1; SMN2PDE4APDE4B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112601752-A Novel inhibitors of MAP4K1 伊克诺斯科学公司 2021-04-02 CN disclosed
EP-2975030-B1 DIHYDROPYRIDAZINE-3,5-DIONE DERIVATIVE CHUGAI PHARMACEUTICAL CO LTD (JP) 2020-07-15 EP disclosed
US-20120149662-A1 Heterocyclic Compounds as Janus Kinase Inhibitors BIOCRYST PHARMACEUTICALS, INC. (US) 2012-06-14 US disclosed
EP-2070914-B1 New antagonist derivatives of the vitronectin receptor, method for their preparation, their application as medicine and pharmaceutical compositions containing them GALAPAGOS SAS (FR) 2011-08-03 EP disclosed
EP-2070914-B1 New antagonist derivatives of the vitronectin receptor, method for their preparation, their application as medicine and pharmaceutical compositions containing them GALAPAGOS SAS (FR) 2011-08-03 EP disclosed
US-7763621-B2 Vitronectin receptor antagonist derivatives, method for preparing same, use thereof as medicines and pharmaceutical compositions containing same GALAPAGOS SAS (FR) 2010-07-27 US disclosed
US-7763621-B2 Vitronectin receptor antagonist derivatives, method for preparing same, use thereof as medicines and pharmaceutical compositions containing same GALAPAGOS SAS (FR) 2010-07-27 US disclosed
US-7763621-B2 Vitronectin receptor antagonist derivatives, method for preparing same, use thereof as medicines and pharmaceutical compositions containing same GALAPAGOS SAS (FR) 2010-07-27 US disclosed
US-7582640-B2 Vitronectin receptor antagonist derivatives, method for preparing same, use thereof as medicines and pharmaceutical compositions containing same GALAPAGOS SAS (FR) 2009-09-01 US disclosed
US-7582640-B2 Vitronectin receptor antagonist derivatives, method for preparing same, use thereof as medicines and pharmaceutical compositions containing same GALAPAGOS SAS (FR) 2009-09-01 US disclosed
US-20080004269-A1 Pyrazolylmethy Heteroaryl Derivatives NEUROGEN CORPORATION 2008-01-03 US disclosed
US-20080004269-A1 Pyrazolylmethy Heteroaryl Derivatives NEUROGEN CORPORATION 2008-01-03 US disclosed
US-20080004269-A1 Pyrazolylmethy Heteroaryl Derivatives NEUROGEN CORPORATION 2008-01-03 US disclosed
EP-1807417-A2 PYRAZOLYLMETHYL HETEROARYL DERIVATIVES NEUROGEN CORPORATION (US) 2007-07-18 EP disclosed
WO-2006093911-A2 THIAZOLYLMETHYL AND OXAZOLYLMETHYL HETEROARYL DERIVATIVES NEUROGEN CORPORATION (US) 2006-09-08 WO disclosed
WO-2006052546-A2 PYRAZOLYLMETHYL HETEROARYL DERIVATIVES NEUROGEN CORPORATION (US) 2006-05-18 WO disclosed
US-20060052398-A1 Novel vitronectin receptor antagonist derivatives, method for preparing same, use thereof as medicines and pharmaceutical compositions containing same GALAPAGOS NV (BE) 2006-03-09 US disclosed
EP-1565467-A1 NOVEL VITRONECTIN RECEPTOR ANTAGONIST DERIVATIVES, METHOD FOR PREPARING SAME, USE THEREOF AS MEDICINES AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME Proskelia SAS (FR) 2005-08-24 EP disclosed
WO-2004048375-A1 NOVEL VITRONECTIN RECEPTOR ANTAGONIST DERIVATIVES, METHOD FOR PREPARING SAME, USE THEREOF AS MEDICINES AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME PROSKELIA SAS (FR) 2004-06-10 WO disclosed
WO-2004048375-A1 NOVEL VITRONECTIN RECEPTOR ANTAGONIST DERIVATIVES, METHOD FOR PREPARING SAME, USE THEREOF AS MEDICINES AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME PROSKELIA SAS (FR) 2004-06-10 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 (3 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-20060052398-A1 Novel vitronectin receptor antagonist derivatives, method for preparing same, use thereof as medicines and pharmaceutical compositions containing same ADGRF1, C5AR2, ADGRE5 ALDH1A1 3380/4885LMNA 376/4885SMN1; SMN2 3906/4885
US-20080004269-A1 Pyrazolylmethy Heteroaryl Derivatives GABBR1, GABRR1, GABRR3 ALDH1A1 1753/4885LMNA 3043/4885SMN1; SMN2 1632/4885
US-20120149662-A1 Heterocyclic Compounds as Janus Kinase Inhibitors JAK2, JAK1, JAK3 ALDH1A1 1507/4885LMNA 4638/4885SMN1; SMN2 4199/4885

“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.