SCHEMBL3608096

SCHEMBL3608096

O=C(Cl)c1c[nH]c2ncccc12

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP2K1 Q02750 1/20 0.67
CNR2 P34972 1/20 0.57
AXL P30530 1/20 0.51
KMT2A Q03164 1/20 0.51
ADORA2A P29274 1/20 0.51
CAMKK2 Q96RR4 2/20 0.50
GPR84 Q9NQS5 1/20 0.50
CCNE1 P24864 5/20 0.48
CDK2 P24941 5/20 0.48
KIF20A O95235 1/20 0.48
CLK1 P49759 1/20 0.48
CLK2 P49760 1/20 0.48
CDK5 Q00535 1/20 0.48
DYRK1A Q13627 1/20 0.48
CDK5R1 Q15078 1/20 0.48
CLK4 Q9HAZ1 1/20 0.48
DYRK1B Q9Y463 1/20 0.48
MTNR1A P48039 1/20 0.48
LRRK2 Q5S007 1/20 0.47
ROCK1 Q13464 1/20 0.47

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
SCHEMBL29443820 1.00 MAP2K1 (0.67) MAP2K1CNR2AXLKMT2AADORA2A
Hydrochloric Acid SCHEMBL23727982 0.98 MAP2K1 (0.65) MAP2K1CNR2AXLKMT2AADORA2A
SCHEMBL3595975 0.87 MAP2K1 (0.63) MAP2K1CNR2AXLKMT2AADORA2A
SCHEMBL29468201 0.86 MAP2K1 (0.71) MAP2K1CNR2AXLKMT2AADORA2A
SCHEMBL985214 0.86 MAP2K1 (0.71) MAP2K1CNR2AXLKMT2AADORA2A
SCHEMBL27708260 0.86 MAP2K1 (0.71) MAP2K1CNR2AXLKMT2AADORA2A
Hydrochloric Acid SCHEMBL3608101 0.84 MAP2K1 (0.69) MAP2K1CNR2AXLKMT2AADORA2A
SCHEMBL1558073 0.83 MAP2K1 (0.63) MAP2K1CNR2AXLKMT2AADORA2A
SCHEMBL3886913 0.83 MAP2K1 (0.63) MAP2K1CNR2AXLKMT2AADORA2A
SCHEMBL12647233 0.83 MAP2K1 (0.67) MAP2K1CNR2AXLKMT2AADORA2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114054099-A Fe3O4@SiO2-2N-CoCl2Catalyst, preparation method and application thereof 万华化学集团股份有限公司 2022-02-18 CN claimed
CN-1247576-C Novel 7-azaindoles, their use as inhibitors of phosphodiesterase 4 and process for their preparation ELBION AG (DE) 2006-03-29 CN claimed
EP-1330455-B1 NOVEL 7-AZAINDOLES, USE THEREOF AS PHOSPHODIESTERASE 4 INHIBITORS AND METHOD FOR PRODUCING THE SAME ELBION AG (DE) 2005-08-03 EP claimed
US-20040106641-A1 Novel 7-azaindoles, use thereof as phosphodiesterase 4 inhibitors and method for producing the same BIOTIE THERAPIES GMBH (DE) 2004-06-03 US claimed
CN-1484644-A Novel 7-azaindoles, their use as inhibitors of phosphodiesterase 4 and process for their preparation �����ɷ� 2004-03-24 CN claimed
CN-114054099-B Fe (Fe) 3 O 4 @SiO 2 -2N-CoCl 2 Catalyst, preparation method and application thereof 万华化学集团股份有限公司 2023-07-11 CN disclosed
CN-114054099-A Fe3O4@SiO2-2N-CoCl2Catalyst, preparation method and application thereof 万华化学集团股份有限公司 2022-02-18 CN disclosed
EP-3883554-A1 ARYL-ANILINE AND HETEROARYL-ANILINE COMPOUNDS FOR TREATMENT OF BIRTHMARKS NFlection Therapeutics, Inc. (US) 2021-09-29 EP disclosed
US-7683074-B2 7-azaindoles, their use as inhibitors of phosphodiesterase 4, and a method for synthesizing them BIOTIE THERAPIES GMBH (DE) 2010-03-23 US disclosed
US-7419987-B2 7-azaindoles, their use as inhibitors of phosphodiesterase 4, and a method for synthesizing them ELBION AG (DE) 2008-09-02 US disclosed
US-20080207680-A1 7-Azaindoles, their use as inhibitors of phosphodiesterase 4, and a method for synthesizing them BIOTIE THERAPIES GMBH (DE) 2008-08-28 US disclosed
US-7169787-B2 7-azaindoles, use thereof as phosphodiesterase 4 inhibitors and method for producing the same ELBION AG (DE) 2007-01-30 US disclosed
US-20060258700-A1 7-azaindoles, their use as inhibitors of phosphodiesterase 4, and a method for synthesizing them BIOTIE THERAPIES GMBH (DE) 2006-11-16 US disclosed
CN-1247576-C Novel 7-azaindoles, their use as inhibitors of phosphodiesterase 4 and process for their preparation ELBION AG (DE) 2006-03-29 CN disclosed
US-20040106641-A1 Novel 7-azaindoles, use thereof as phosphodiesterase 4 inhibitors and method for producing the same BIOTIE THERAPIES GMBH (DE) 2004-06-03 US disclosed
CN-1484644-A Novel 7-azaindoles, their use as inhibitors of phosphodiesterase 4 and process for their preparation �����ɷ� 2004-03-24 CN 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-20040106641-A1 Novel 7-azaindoles, use thereof as phosphodiesterase 4 inhibitors and method for producing the same PDE4A, PDE4B, PDE4C MAP2K1 2469/4885CNR2 2555/4885AXL 4707/4885
US-20060258700-A1 7-azaindoles, their use as inhibitors of phosphodiesterase 4, and a method for synthesizing them PDE4A, PDE4B, PDE3A MAP2K1 2712/4885CNR2 3086/4885AXL 4805/4885
US-20080207680-A1 7-Azaindoles, their use as inhibitors of phosphodiesterase 4, and a method for synthesizing them PDE4A, PDE4B, PDE7A MAP2K1 2198/4885CNR2 2944/4885AXL 4837/4885

“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.