SCHEMBL5054348

SCHEMBL5054348

Cc1nc(Cl)c2c(n1)N(c1ccc(C#N)cc1Cl)CCC2CO

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CRHR1 P34998 10/20 0.40
PDE5A O76074 3/20 0.35
TUBB4A P04350 1/20 0.35
TUBB P07437 1/20 0.35
TUBA3C P0DPH7 1/20 0.35
TUBA1B P68363 1/20 0.35
TUBA4A P68366 1/20 0.35
TUBB4B P68371 1/20 0.35
TUBB3 Q13509 1/20 0.35
TUBB2A Q13885 1/20 0.35
TUBB8 Q3ZCM7 1/20 0.35
TUBA3E Q6PEY2 1/20 0.35
TUBA1A Q71U36 1/20 0.35
TUBA1C Q9BQE3 1/20 0.35
TUBB6 Q9BUF5 1/20 0.35
TUBB2B Q9BVA1 1/20 0.35
TUBB1 Q9H4B7 1/20 0.35
GPR6 P46095 1/20 0.34
AR P10275 1/20 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
SCHEMBL5054127 0.92 CRHR1 (0.44) CRHR1PDE5ATUBB4ATUBBTUBA3C
SCHEMBL5113634 0.86 CRHR1 (0.52) CRHR1TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL5055781 0.81 CRHR1 (0.36) CRHR1TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL5052307 0.76 CRHR1 (0.59) CRHR1AR
SCHEMBL5100161 0.75 CRHR1 (0.47) CRHR1TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL5054087 0.74 CRHR1 (0.68) CRHR1
SCHEMBL5054205 0.74 CRHR1 (0.39) CRHR1TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL5055775 0.74 CRHR1 (0.36) CRHR1TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL5055786 0.74 CRHR1 (0.34) CRHR1TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL5107062 0.73 CRHR1 (0.46) CRHR1TUBB4ATUBBTUBA3CTUBA1B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7446108-B2 Tri-and tetraaza-acenaphthylen derivatives as CRF receptor antagonists NEUROCRINE, INC. (US) 2008-11-04 US disclosed
EP-1392689-B1 TRI- AND TETRAAZA-ACENAPHTHYLEN DERIVATIVES AS CRF RECEPTOR ANTAGONISTS NEUROCRINE BIOSCIENCES INC (US) 2006-10-25 EP disclosed
US-20040198726-A1 Tri-and tetraaza-acenaphthylen derivatives as crf receptor antagonists SMITHKLINE BEECHAM (CORK) LIMITED (IE) 2004-10-07 US disclosed
CN-1529705-A Tri-and tetraaza-acenaphthylen derivatives as CRF receptor antagonists Ŧ�޿���������ѧ��˾ 2004-09-15 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 (1 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-20040198726-A1 Tri-and tetraaza-acenaphthylen derivatives as crf receptor antagonists CRHR1, AGTR1, NPY1R CRHR1 1/4885PDE5A 1932/4885TUBB4A 3833/4885

“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.