SCHEMBL6796868

SCHEMBL6796868

CCc1nn(C2CCC2)c2cc(C3(C#N)CCC(O)CC3)ccc12

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
AXL P30530 1/20 0.36
TYRO3 Q06418 1/20 0.36
MERTK Q12866 1/20 0.36
PDE4A P27815 6/20 0.34
PDE4B Q07343 6/20 0.34
PDE4C Q08493 6/20 0.34
PDE4D Q08499 6/20 0.34
TEAD1 P28347 1/20 0.33
TEAD4 Q15561 1/20 0.33
TEAD2 Q15562 1/20 0.33
LRRK2 Q5S007 5/20 0.33
ESR1 P03372 1/20 0.32
PTGDR2 Q9Y5Y4 2/20 0.32
KHK P50053 4/20 0.31

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
SCHEMBL6802477 1.00 AXL (0.36) AXLTYRO3MERTKPDE4APDE4B
SCHEMBL6796863 1.00 AXL (0.36) AXLTYRO3MERTKPDE4APDE4B
SCHEMBL6791320 0.98 AXL (0.36) AXLTYRO3MERTKPDE4APDE4B
SCHEMBL6791328 0.98 AXL (0.36) AXLTYRO3MERTKPDE4APDE4B
SCHEMBL6794328 0.97 ESR1 (0.36) AXLTYRO3MERTKPDE4APDE4B
SCHEMBL6794334 0.97 ESR1 (0.36) AXLTYRO3MERTKPDE4APDE4B
SCHEMBL6791374 0.89 AXL (0.37) AXLTYRO3MERTKPDE4APDE4B
SCHEMBL6791379 0.89 AXL (0.37) AXLTYRO3MERTKPDE4APDE4B
SCHEMBL6791382 0.89 AXL (0.37) AXLTYRO3MERTKPDE4APDE4B
SCHEMBL6792484 0.88 PDE4B (0.46) AXLTYRO3MERTKPDE4APDE4B

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 19 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 claimed
US-20030176421-A1 PROKINETIC AGENTS FOR TREATING GASTRIC HYPOMOTILITY AND RELATED DISORDERS WATSON JOHN W (US) 2003-09-18 US claimed
US-20030158189-A1 Therapeutically active compounds based on indazole bioisostere replacement of catechol in PDE4 inhibitors MARFAT ANTHONY (US) 2003-08-21 US claimed
US-20020058687-A1 THERAPEUTICALLY ACTIVE COMPOUNDS BASED ON INDAZOLE BIOISOSTERE REPLACEMENT OF CATECHOL IN PDE4 INHIBITORS MARFAT ANTHONY (US) 2002-05-16 US claimed
US-6211222-B1 Substituted indazole derivatives and related compounds PFIZER INC 2001-04-03 US claimed
EP-1040829-A2 Prokinetic agents for treating gastric hypomotility and related disorders PFIZER INC. (US) 2000-10-04 EP claimed
EP-1040100-A1 THERAPEUTICALLY ACTIVE COMPOUNDS BASED ON INDAZOLE BIOISOSTERE REPLACEMENT OF CATECHOL IN PDE4 INHIBITORS Pfizer Products Inc. (US) 2000-10-04 EP claimed
WO-1999023076-A1 THERAPEUTICALLY ACTIVE COMPOUNDS BASED ON INDAZOLE BIOISOSTERE REPLACEMENT OF CATECHOL IN PDE4 INHIBITORS PFIZER PRODUCTS INC. (US) 1999-05-14 WO claimed
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-20030176421-A1 PROKINETIC AGENTS FOR TREATING GASTRIC HYPOMOTILITY AND RELATED DISORDERS WATSON JOHN W (US) 2003-09-18 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 (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-20030158189-A1 Therapeutically active compounds based on indazole bioisostere replacement of catechol in PDE4 inhibitors PDE4B, PDE3B, PDE4A AXL 4238/4885TYRO3 3236/4885MERTK 3916/4885
US-20030176421-A1 PROKINETIC AGENTS FOR TREATING GASTRIC HYPOMOTILITY AND RELATED DISORDERS OPRM1, OPRK1, OPRD1 AXL 2927/4885TYRO3 4192/4885MERTK 3747/4885
US-20020058687-A1 THERAPEUTICALLY ACTIVE COMPOUNDS BASED ON INDAZOLE BIOISOSTERE REPLACEMENT OF CATECHOL IN PDE4 INHIBITORS PDE3B, ALPI, PDE4B AXL 4423/4885TYRO3 3918/4885MERTK 3654/4885

“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.