SCHEMBL4367955

SCHEMBL4367955

CC(=O)c1cccc(-c2nn[nH]n2)c1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.69
XDH P47989 2/20 0.64
CREBBP Q92793 1/20 0.62
GP6 Q9HCN6 1/20 0.58
IDO1 P14902 1/20 0.57
ALDH1A1 P00352 2/20 0.55
KMT2A Q03164 4/20 0.55
NPC1 O15118 1/20 0.52
CLK1 P49759 1/20 0.52
RAB9A P51151 1/20 0.52
MEN1 O00255 3/20 0.50
PIK3CD O00329 1/20 0.50
PIK3CA P42336 1/20 0.50
PIK3CB P42338 1/20 0.50
PIK3CG P48736 1/20 0.50
POLB P06746 1/20 0.50
USP2 O75604 1/20 0.50
PTGDR2 Q9Y5Y4 1/20 0.49
CASP6 P55212 1/20 0.48
KDM4D Q6B0I6 1/20 0.48

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
SCHEMBL940146 0.85 GP6 (0.65) MAPTXDHGP6IDO1ALDH1A1
SCHEMBL30004856 0.84 PFKFB3 (0.60) MAPTXDHGP6IDO1ALDH1A1
SCHEMBL2856871 0.84 PFKFB3 (0.60) MAPTXDHGP6IDO1ALDH1A1
SCHEMBL4261812 0.83 MAPT (0.60) MAPTXDHCREBBPGP6IDO1
SCHEMBL6696608 0.82 MAPT (1.00) MAPTALDH1A1KMT2ANPC1CLK1
SCHEMBL6040548 0.80 XDH (0.96) MAPTXDHALDH1A1NPC1RAB9A
SCHEMBL23682773 0.78 CREBBP (1.00) MAPTXDHCREBBPGP6ALDH1A1
SCHEMBL10389918 0.76 MAP4K4 (0.59) MAPTCREBBPALDH1A1KMT2AMEN1
SCHEMBL1628598 0.76 GP6 (0.66) MAPTXDHGP6IDO1ALDH1A1
SCHEMBL2646724 0.76 GP6 (0.66) MAPTXDHGP6IDO1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7829571-B2 Cyclic derivatives as modulators of chemokine receptor activity BRISTOL-MYERS SQUIBB COMPANY (US) 2010-11-09 US disclosed
US-7829571-B2 Cyclic derivatives as modulators of chemokine receptor activity BRISTOL-MYERS SQUIBB COMPANY (US) 2010-11-09 US disclosed
US-20090124668-A1 CYCLIC DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY BRISTOL-MYERS SQUIBB COMPANY 2009-05-14 US disclosed
US-20090124668-A1 CYCLIC DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY BRISTOL-MYERS SQUIBB COMPANY 2009-05-14 US disclosed
US-7482335-B2 Cyclic derivatives as modulators of chemokine receptor activity BRISTOL-MYERS SQUIBB COMPANY (US) 2009-01-27 US disclosed
US-7482335-B2 Cyclic derivatives as modulators of chemokine receptor activity BRISTOL-MYERS SQUIBB COMPANY (US) 2009-01-27 US disclosed
WO-2009012375-A2 SQUARATE KINASE INHIBITORS WYETH (US) 2009-01-22 WO disclosed
US-20070032526-A1 Cyclic derivatives as modulators of chemokine receptor activity CARTER PEROY H 2007-02-08 US disclosed
US-20070032526-A1 Cyclic derivatives as modulators of chemokine receptor activity CARTER PEROY H 2007-02-08 US 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-20070032526-A1 Cyclic derivatives as modulators of chemokine receptor activity CCL11, CCL2, CCR1 MAPT 4523/4885XDH 1816/4885CREBBP 624/4885
US-20090124668-A1 CYCLIC DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY CCL11, CCL2, CCR1 MAPT 4523/4885XDH 1816/4885CREBBP 624/4885

“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.