SCHEMBL3843474

SCHEMBL3843474

CCN1CCN(c2ccc3[nH]c(-c4cc(-c5ccc(N)cc5)n[nH]4)nc3c2)CC1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 2/20 0.53
SMN1; SMN2 Q16637 3/20 0.46
GAA P10253 2/20 0.46
RAD52 P43351 2/20 0.46
MAPT P10636 2/20 0.46
KDM4E B2RXH2 1/20 0.46
GFER P55789 1/20 0.46
FGFR1 P11362 6/20 0.45
KDR P35968 4/20 0.45
FGFR2 P21802 3/20 0.45
FGFR3 P22607 2/20 0.45
MELK Q14680 1/20 0.42
TERT O14746 2/20 0.40
ALDH1A1 P00352 2/20 0.38
MEN1 O00255 1/20 0.38
SLCO2B1 O94956 1/20 0.38
GLA P06280 1/20 0.38
RECQL P46063 1/20 0.38
BLM P54132 1/20 0.38
KMT2A Q03164 1/20 0.38

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
SCHEMBL5523487 0.82 ALDH1A1 (0.57) SMN1; SMN2GAAMAPTKDM4EFGFR1
SCHEMBL3842645 0.82 GAA (0.62) ACHESMN1; SMN2GAARAD52MAPT
SCHEMBL14342660 0.81 ACHE (0.43) ACHEFGFR1KDRFGFR2FGFR3
SCHEMBL14342659 0.76 RAF1 (0.49) SMN1; SMN2GAAMAPTKDRALDH1A1
SCHEMBL14363060 0.75 CSF1R (0.47) ACHEMAPTKDM4EFGFR1KDR
SCHEMBL1789914 0.74 FGFR1 (0.46) ACHEFGFR1KDRFGFR2FGFR3
SCHEMBL3842984 0.74 SMN1; SMN2 (0.64) SMN1; SMN2GAAMAPTKDM4EGFER
SCHEMBL1790213 0.72 KDR (0.45) ACHEFGFR1KDRFGFR2FGFR3
SCHEMBL27632977 0.71 ACHE (0.64) ACHESMN1; SMN2MAPTFGFR1KDR
SCHEMBL14892180 0.70 TERT (0.54) ACHESMN1; SMN2MAPTTERTALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8710038-B2 Pyrazole kinase modulators and methods of use EXELIXIS, INC. (US) 2014-04-29 US disclosed
EP-1797072-A4 PYRAZOLE KINASE MODULATORS AND METHODS OF USE EXELIXIS INC (US) 2009-09-09 EP disclosed
US-20070293507-A1 Pyrazole Kinase Modulators And Methods Of Use EXELIXIS, INC. (US) 2007-12-20 US disclosed
EP-1797072-A2 PYRAZOLE KINASE MODULATORS AND METHODS OF USE Exelixis, Inc. (US) 2007-06-20 EP disclosed
WO-2006033943-A2 PYRAZOLE KINASE MODULATORS AND METHODS OF USE EXELIXIS, INC (US) 2006-03-30 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 (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-20070293507-A1 Pyrazole Kinase Modulators And Methods Of Use MAP3K1, MAP3K3, MAP3K5 ACHE 3020/4885SMN1; SMN2 4604/4885GAA 2413/4885

“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.