SCHEMBL6796199

SCHEMBL6796199

CCc1nn(C2CCC2)c2cc([C@]3(C#N)CC[C@@H](C(=O)OC)CC3)ccc12

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 16/20 0.40
PDE4A P27815 15/20 0.40
PDE4C Q08493 15/20 0.40
PDE4D Q08499 15/20 0.40
AXL P30530 1/20 0.38
TYRO3 Q06418 1/20 0.38
MERTK Q12866 1/20 0.38
TEAD1 P28347 1/20 0.34
TEAD4 Q15561 1/20 0.34
TEAD2 Q15562 1/20 0.34
PTGDR2 Q9Y5Y4 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33

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
SCHEMBL6796208 1.00 PDE4B (0.40) PDE4BPDE4APDE4CPDE4DAXL
SCHEMBL6796206 1.00 PDE4B (0.40) PDE4BPDE4APDE4CPDE4DAXL
SCHEMBL6182044 0.98 PDE4B (0.42) PDE4BPDE4APDE4CPDE4DAXL
SCHEMBL6182041 0.98 PDE4B (0.42) PDE4BPDE4APDE4CPDE4DAXL
SCHEMBL6182046 0.98 PDE4B (0.42) PDE4BPDE4APDE4CPDE4DAXL
SCHEMBL6180908 0.97 PDE4B (0.41) PDE4BPDE4APDE4CPDE4DAXL
SCHEMBL6180913 0.97 PDE4B (0.41) PDE4BPDE4APDE4CPDE4DAXL
SCHEMBL6180911 0.97 PDE4B (0.41) PDE4BPDE4APDE4CPDE4DAXL
SCHEMBL6792484 0.90 PDE4B (0.46) PDE4BPDE4APDE4CPDE4DAXL
SCHEMBL6792485 0.90 PDE4B (0.46) PDE4BPDE4APDE4CPDE4DAXL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6716978-B2 FOR THERAPY AND PROHYLAXIS OF INFLAMMATORY DISEASES INCLUDING JOINT INFLAMMATION, CROHN'S DISEASE, AND INFLAMMATORY BOWEL DISEASE; RESPIRATORY DISEASES SUCH AS CHRONIC OBSTRUCTIVE PULMONARY DISEASE (COPD) INCLUDING ASTHMA, CHRONIC BRONCHITIS PFIZER INC 2004-04-06 US disclosed
US-20030158189-A1 Therapeutically active compounds based on indazole bioisostere replacement of catechol in PDE4 inhibitors MARFAT ANTHONY (US) 2003-08-21 US disclosed
US-6391872-B1 SENSITIVE TO ADRENERGIC ANTAGONIST PFIZER INC 2002-05-21 US disclosed
US-20020058687-A1 THERAPEUTICALLY ACTIVE COMPOUNDS BASED ON INDAZOLE BIOISOSTERE REPLACEMENT OF CATECHOL IN PDE4 INHIBITORS MARFAT ANTHONY (US) 2002-05-16 US disclosed
US-6211222-B1 Substituted indazole derivatives and related compounds PFIZER INC 2001-04-03 US disclosed
EP-1040100-A1 THERAPEUTICALLY ACTIVE COMPOUNDS BASED ON INDAZOLE BIOISOSTERE REPLACEMENT OF CATECHOL IN PDE4 INHIBITORS Pfizer Products Inc. (US) 2000-10-04 EP disclosed
US-6127398-A Substituted indazole derivatives and related compounds PFIZER INC (US) 2000-10-03 US disclosed
EP-1028946-A1 INDAZOLE BIOISOSTERE REPLACEMENT OF CATECHOL IN THERAPEUTICALLY ACTIVE COMPOUNDS Pfizer Products Inc. (US) 2000-08-23 EP disclosed
WO-1999023077-A1 INDAZOLE BIOISOSTERE REPLACEMENT OF CATECHOL IN THERAPEUTICALLY ACTIVE COMPOUNDS PFIZER PRODUCTS INC. (US) 1999-05-14 WO disclosed
WO-1999023076-A1 THERAPEUTICALLY ACTIVE COMPOUNDS BASED ON INDAZOLE BIOISOSTERE REPLACEMENT OF CATECHOL IN PDE4 INHIBITORS PFIZER PRODUCTS INC. (US) 1999-05-14 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 (2 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-20030158189-A1 Therapeutically active compounds based on indazole bioisostere replacement of catechol in PDE4 inhibitors PDE4B, PDE3B, PDE4A PDE4B 1/4885PDE4A 3/4885PDE4C 5/4885
US-20020058687-A1 THERAPEUTICALLY ACTIVE COMPOUNDS BASED ON INDAZOLE BIOISOSTERE REPLACEMENT OF CATECHOL IN PDE4 INHIBITORS PDE3B, ALPI, PDE4B PDE4B 3/4885PDE4A 9/4885PDE4C 16/4885

“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.