Sugi Predict

Sugi Predict / Compounds / SCHEMBL4083747

SCHEMBL4083747

SCHEMBL4083747

NC(=O)[C@@H]1CCCN1c1nc(-c2ccccc2)nc2[nH]ccc12

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ELANE P08246 2/20 0.51
▸ MAT2A P31153 2/20 0.46
▸ ADORA1 P30542 2/20 0.46
▸ ADORA3 P0DMS8 1/20 0.46
▸ ADORA2A P29274 1/20 0.46
▸ ADORA2B P29275 1/20 0.46
▸ TSHR P16473 2/20 0.45
▸ POLB P06746 1/20 0.44
▸ PIK3CA P42336 3/20 0.42
▸ MTOR P42345 3/20 0.42
▸ SCN9A Q15858 2/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ JAK3 P52333 2/20 0.41
▸ AR P10275 1/20 0.40
▸ FPR2 P25090 1/20 0.40
▸ OPRM1 P35372 1/20 0.40
▸ OPRD1 P41143 1/20 0.40
▸ OPRK1 P41145 1/20 0.40
▸ OGFRL1 Q5TC84 1/20 0.40
▸ KIT P10721 1/20 0.40

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
SCHEMBL7746303 0.89 ADORA1 (0.46) ELANEADORA1ADORA3ADORA2AADORA2B
SCHEMBL4078297 0.83 MAT2A (0.47) ELANEMAT2ATSHRPOLBSCN9A
SCHEMBL4077720 0.83 MAT2A (0.47) ELANEMAT2ATSHRPOLBSCN9A
SCHEMBL4084126 0.83 MAT2A (0.47) ELANEMAT2ATSHRPOLBSCN9A
SCHEMBL7749780 0.83 MAT2A (0.47) ELANEMAT2ATSHRPOLBSCN9A
SCHEMBL5189246 0.82 ADORA1 (0.47) ELANEADORA1ADORA3ADORA2AADORA2B
SCHEMBL8355465 0.82 ADORA1 (0.47) ELANEADORA1ADORA3ADORA2AADORA2B
SCHEMBL4077312 0.82 ADORA1 (0.47) ELANEADORA1ADORA3ADORA2AADORA2B
SCHEMBL2825572 0.82 ADORA1 (0.47) ELANEADORA1ADORA3ADORA2AADORA2B
SCHEMBL7751006 0.82 MAT2A (0.46) ELANEMAT2ATSHRPOLBSCN9A

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 15 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7598252-B2 Compounds specific to adenosine A, receptors and uses thereof OSI PHARMACEUTICALS, INC. (US) 2009-10-06 — — US disclosed
US-7598252-B2 Compounds specific to adenosine A, receptors and uses thereof OSI PHARMACEUTICALS, INC. (US) 2009-10-06 — — US disclosed
US-7598252-B2 Compounds specific to adenosine A, receptors and uses thereof OSI PHARMACEUTICALS, INC. (US) 2009-10-06 — — US disclosed
US-20080070936-A1 Compounds specific to adenosine A1 receptors and uses thereof OSI PHARMACEUTICALS, INC. 2008-03-20 — — US disclosed
US-20080070936-A1 Compounds specific to adenosine A1 receptors and uses thereof OSI PHARMACEUTICALS, INC. 2008-03-20 — — US disclosed
EP-1731520-A1 Pyrrolo[2,3-d]pyrimidine derivatives which are antagonists of adenosine A1, A2A, and A3 OSI Pharmaceuticals, Inc. (US) 2006-12-13 — — EP disclosed
EP-1246623-B1 COMPOUNDS SPECIFIC TO ADENOSINE A1, A2A, AND A3 RECEPTOR AND USES THEREOF OSI PHARM INC (US) 2006-08-09 — — EP disclosed
US-20040082598-A1 Compounds specific to adenosine A, receptors and uses thereof OSI PHARMACEUTICALS, INC. 2004-04-29 — — US disclosed
US-20040082599-A1 Compounds specific to adenosine A1 receptors and uses thereof OSI PHARMACEUTICALS, INC. 2004-04-29 — — US disclosed
US-6680322-B2 FOR THERAPY OF ASTHMA, ALLERGIC RHINITIS, RESPIRATORY SYSTEM DISORDERS OSI PHARMACEUTICALS, INC. 2004-01-20 — — US disclosed
US-6680324-B2 4-AMINO-6-PHENYL-PYRROLO(2,3-D)PYRIMIDINE DERIVATIVES OSI PHARMACEUTICALS, INC. 2004-01-20 — — US disclosed
US-6680324-B2 4-AMINO-6-PHENYL-PYRROLO(2,3-D)PYRIMIDINE DERIVATIVES OSI PHARMACEUTICALS, INC. 2004-01-20 — — US disclosed
US-6680324-B2 4-AMINO-6-PHENYL-PYRROLO(2,3-D)PYRIMIDINE DERIVATIVES OSI PHARMACEUTICALS, INC. 2004-01-20 — — US disclosed
US-20030045536-A1 Compounds specific to adenosine A1 receptors and uses thereof OSI PHARMACEUTICALS, INC. 2003-03-06 — — US disclosed
US-20020058667-A1 Compounds specific to adenosine A1 receptors and uses thereof OSI PHARMACEUTICALS, INC. 2002-05-16 — — US 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-20040082598-A1 Compounds specific to adenosine A, receptors and uses thereof ADORA2A, ADORA1, ADORA3 ELANE 1937/4885MAT2A 305/4885ADORA1 2/4885
US-20020058667-A1 Compounds specific to adenosine A1 receptors and uses thereof ADORA1, ADORA2A, ADORA3 ELANE 1603/4885MAT2A 324/4885ADORA1 1/4885
US-20030045536-A1 Compounds specific to adenosine A1 receptors and uses thereof ADORA1, ADORA2A, ADORA3 ELANE 1603/4885MAT2A 324/4885ADORA1 1/4885
US-20080070936-A1 Compounds specific to adenosine A1 receptors and uses thereof ADORA1, ADORA2A, ADORA3 ELANE 1552/4885MAT2A 285/4885ADORA1 1/4885
US-20040082599-A1 Compounds specific to adenosine A1 receptors and uses thereof ADORA1, ADORA2A, ADORA3 ELANE 1603/4885MAT2A 324/4885ADORA1 1/4885

“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.