SCHEMBL1777994

SCHEMBL1777994

COc1ccc2c(c1)c(C#N)cn2C

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ IMPDH2 P12268 1/20 0.56
▸ ADRB2 P07550 1/20 0.52
▸ HTR6 P50406 1/20 0.50
▸ MEN1 O00255 2/20 0.45
▸ KMT2A Q03164 2/20 0.45
▸ ALDH1A1 P00352 2/20 0.45
▸ KDM4E B2RXH2 1/20 0.45
▸ MAPT P10636 1/20 0.45
▸ HPGD P15428 1/20 0.45
▸ HTT P42858 1/20 0.45
▸ HSD17B10 Q99714 1/20 0.45
▸ L3MBTL1 Q9Y468 1/20 0.45
▸ MTNR1A P48039 3/20 0.45
▸ MTNR1B P49286 3/20 0.45
▸ POLB P06746 1/20 0.45
▸ RAB9A P51151 1/20 0.45
▸ NQO2 P16083 1/20 0.45
▸ MAOA P21397 1/20 0.44
▸ SLC6A4 P31645 1/20 0.43
▸ JAK2 O60674 1/20 0.43

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
SCHEMBL6088237 0.82 SRC (0.47) IMPDH2ADRB2SLC6A4
SCHEMBL6090667 0.82 AR (0.46) IMPDH2ADRB2
SCHEMBL28016394 0.80 HTR6 (0.53) HTR6PDE4B
SCHEMBL6088595 0.79 AR (0.43) IMPDH2ADRB2HTR6SLC6A4
SCHEMBL7293153 0.78 IMPDH2 (0.61) IMPDH2HTTL3MBTL1MAOASLC6A4
SCHEMBL23898712 0.78 HTR6 (0.55) HTR6MTNR1AMTNR1B
SCHEMBL19193000 0.77 ADRB2 (0.63) ADRB2HTR6MEN1KMT2AMTNR1A
SCHEMBL22450677 0.77 IMPDH2 (0.59) IMPDH2MEN1KMT2AALDH1A1KDM4E
SCHEMBL2417482 0.77 IMPDH2 (0.59) IMPDH2SLC6A4GSK3B
SCHEMBL13385265 0.77 IMPDH2 (0.59) IMPDH2SLC6A4GSK3B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104788359-A Synthesis method of copper-promoted 3-cyano-substituted-indole compound UNIV HUNAN 2015-07-22 — — CN disclosed
EP-1990343-B1 Azaindoles AVENTIS PHARMA LTD (GB) 2012-04-04 — — EP disclosed
US-7943616-B2 Protein kinase inhibitors; astham; psoriasis; antiinflammatory agents; inflammatory bowel disorders AVENTIS PHARMACEUTICALS INC. (US) 2011-05-17 — — US disclosed
EP-2233486-A1 Azaindoles Aventis Pharma Limited (GB) 2010-09-29 — — EP disclosed
EP-1263759-B1 AZAINDOLES AVENTIS PHARMA LTD (GB) 2010-09-08 — — EP disclosed
EP-1990343-A2 Azaindoles Aventis Pharma Limited (GB) 2008-11-12 — — EP disclosed
WO-2008014249-A2 IMPROVED PREPARATIONS OF 2 -SUBSTITUTED PYRROLO [2, 3-B] PYRAZINE ( 4, 7 -DIAZAINDOLE ) COMPOUNDS SANOFI-AVENTIS (FR) 2008-01-31 — — WO disclosed
WO-2008014249-A2 IMPROVED PREPARATIONS OF 2 -SUBSTITUTED PYRROLO [2, 3-B] PYRAZINE ( 4, 7 -DIAZAINDOLE ) COMPOUNDS SANOFI-AVENTIS (FR) 2008-01-31 — — WO disclosed
US-7227020-B2 Azaindoles AVENTIS PHARMA LIMITED (GB) 2007-06-05 — — US disclosed
US-20050267304-A1 Protein kinase inhibitors; astham; psoriasis; antiinflammatory agents; inflammatory bowel disorders AVENTIS PHARMACEUTICALS INC. (US) 2005-12-01 — — US disclosed
US-6770643-B2 Azaindoles AVENTIS PHARMA LIMITED (GB) 2004-08-03 — — US disclosed
US-20040053931-A1 Azaindoles AVENTIS PHARMACEUTICALS INC. 2004-03-18 — — US disclosed
EP-1397360-A1 AZAINDOLES Aventis Pharma Limited (GB) 2004-03-17 — — EP disclosed
US-20040009983-A1 Azaindoles AVENTIS PHARMA LIMITED (GB) 2004-01-15 — — US disclosed
WO-2003000688-A1 AZAINDOLES AVENTIS PHARMA LIMITED (GB) 2003-01-03 — — WO disclosed
EP-1263759-A2 AZAINDOLES Aventis Pharma Limited (GB) 2002-12-11 — — EP disclosed
WO-2001047922-A2 AZAINDOLES AVENTIS PHARMA LIMITED (GB) 2001-07-05 — — WO disclosed
EP-0337547-B1 Spirocyclic compounds incorporating five-membered rings with two heteroatoms MERCK SHARP & DOHME (GB) 1994-03-02 — — EP disclosed
US-4940703-A Spirocyclic compounds incorporating five-membered rings with two heteroatoms for treating psychotic disorders, etc. MERCK SHARP & DOHME LIMITED (GB) 1990-07-10 — — US disclosed
EP-0337547-A1 Spirocyclic compounds incorporating five-membered rings with two heteroatoms MERCK SHARP & DOHME LTD. (GB) 1989-10-18 — — EP 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-20040053931-A1 Azaindoles CDKN1A, CDK7, CDK2 IMPDH2 394/4885ADRB2 1111/4885HTR6 2043/4885
US-20040009983-A1 Azaindoles CCNY, CCNO, CKS2 IMPDH2 4243/4885ADRB2 2018/4885HTR6 863/4885
US-20050267304-A1 Protein kinase inhibitors; astham; psoriasis; antiinflammatory agents; inflammatory bowel disorders MAP3K20, MAP3K12, MAP3K19 IMPDH2 1472/4885ADRB2 1578/4885HTR6 1744/4885

“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.

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