SCHEMBL5833744

SCHEMBL5833744

Cc1cc(-c2cccc(-c3ccc(F)c4ccccc34)n2)c(C)[nH]1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1B P28222 1/20 0.43
HTR2B P41595 1/20 0.43
GPR65 Q8IYL9 1/20 0.43
TUBB4A P04350 1/20 0.36
TUBB P07437 1/20 0.36
TUBA3C P0DPH7 1/20 0.36
TUBA1B P68363 1/20 0.36
TUBA4A P68366 1/20 0.36
TUBB4B P68371 1/20 0.36
TUBB3 Q13509 1/20 0.36
TUBB2A Q13885 1/20 0.36
TUBB8 Q3ZCM7 1/20 0.36
TUBA3E Q6PEY2 1/20 0.36
TUBA1A Q71U36 1/20 0.36
TUBA1C Q9BQE3 1/20 0.36
TUBB6 Q9BUF5 1/20 0.36
TUBB2B Q9BVA1 1/20 0.36
TUBB1 Q9H4B7 1/20 0.36
GAA P10253 3/20 0.34
KDM4E B2RXH2 2/20 0.34

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
SCHEMBL6584801 0.84 AR (0.34) GAAKDM4EARTGFBR1MGAM
SCHEMBL5833265 0.83 IDO1 (0.37) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL6622613 0.81 MAP3K5 (0.38) HPGDALDH1A1PTGES
SCHEMBL8122697 0.75 CCR1 (0.54) TGFBR1
SCHEMBL5833350 0.75 PTGER1 (0.42)
SCHEMBL5833033 0.73 KDM4E (0.34) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL6696951 0.71 RAB9A (0.49) GAAKDM4EHPGDMGAMSI
SCHEMBL6620005 0.70 ACHE (0.39) CYP1A2
SCHEMBL8138019 0.70 TGFBR1 (0.34) KDM4ETGFBR1
SCHEMBL5833748 0.70 HTR1B (0.41) HTR1BHTR2BGPR65KDM4EAR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7012078-B2 2-aminopyridines containing fused ring substituents PFIZER INC. (US) 2006-03-14 US disclosed
EP-1007520-B1 2-AMINOPYRIDINES CONTAINING FUSED RING SUBSTITUENTS AS NOS INHIBITORS PFIZER PROD INC (US) 2003-08-27 EP disclosed
US-20030149017-A1 2-Aminopyridines containing fused ring substituents PFIZER INC. 2003-08-07 US disclosed
EP-1155000-B1 2-AMINOPYRIDINES CONTAINING FUSED RING SUBSTITUENTS PFIZER PROD INC (US) 2003-07-16 EP disclosed
US-6372768-B2 NERVOUS SYSTEM DISORDERS PFIZER INC 2002-04-16 US disclosed
US-20010049379-A1 2-aminopyridines containing fused ring substituents LOWE JOHN ADAMS (US) 2001-12-06 US disclosed
EP-1155000-A1 2-AMINOPYRIDINES CONTAINING FUSED RING SUBSTITUENTS Pfizer Products Inc. (US) 2001-11-21 EP disclosed
US-20010014689-A1 2-aminopyridines containing fused ring substituents LOWE JOHN A (US) 2001-08-16 US disclosed
US-6211208-B1 INHIBITION OF NITRIC OXIDE SYNTHETASE, ANTIINFLAMMATORY AGENTS PFIZER INC 2001-04-03 US disclosed
WO-2000050400-A1 2-AMINOPYRIDINES CONTAINING FUSED RING SUBSTITUENTS PFIZER PRODUCTS INC. (US) 2000-08-31 WO disclosed
EP-1007520-A1 2-AMINOPYRIDINES CONTAINING FUSED RING SUBSTITUENTS AS NOS INHIBITORS Pfizer Products Inc. (US) 2000-06-14 EP disclosed
WO-1999010339-A1 2-AMINOPYRIDINES CONTAINING FUSED RING SUBSTITUENTS AS NOS INHIBITORS PFIZER PRODUCTS INC. (US) 1999-03-04 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-20030149017-A1 2-Aminopyridines containing fused ring substituents NOS2, NOS1, NOS3 HTR1B 204/4885HTR2B 342/4885GPR65 1921/4885
US-20010014689-A1 2-aminopyridines containing fused ring substituents CBR1, CBR3, NOS2 HTR1B 539/4885HTR2B 833/4885GPR65 3485/4885
US-20010049379-A1 2-aminopyridines containing fused ring substituents NOS2, NOS1, NOS3 HTR1B 204/4885HTR2B 342/4885GPR65 1921/4885

“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.