SCHEMBL5536772

SCHEMBL5536772

C=Cc1c(O)cccc1-c1ccn[nH]1

nearest known ligand 0.64

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 4/20 0.64
PIM1 P11309 1/20 0.45
NOTUM Q6P988 3/20 0.42
HPGDS O60760 2/20 0.40
CDK1 P06493 1/20 0.38
CDK2 P24941 1/20 0.38
SCN4A P35499 1/20 0.38
CASP6 P55212 1/20 0.37
CD74 P04233 1/20 0.36
MIF P14174 1/20 0.36
COMT P21964 1/20 0.36
ALDH1A1 P00352 1/20 0.35
PDPK1 O15530 1/20 0.34
POLB P06746 1/20 0.34
CYP2E1 P05181 1/20 0.34
CYP2A6 P11509 1/20 0.34
CYP2B6 P20813 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
SCHEMBL29998937 0.79 IDO1 (1.00) IDO1PIM1NOTUMHPGDSCDK1
SCHEMBL1501845 0.79 IDO1 (1.00) IDO1PIM1NOTUMHPGDSCDK1
SCHEMBL5536764 0.77 IDO1 (0.50) IDO1PIM1NOTUMHPGDSCDK1
SCHEMBL27917554 0.77 IDO1 (0.96) IDO1PIM1NOTUMHPGDSCDK1
SCHEMBL4551394 0.72 ALDH1A1 (0.47) CDK2ALDH1A1POLB
SCHEMBL23923926 0.71 IDO1 (0.64) IDO1PIM1NOTUMHPGDSCDK1
SCHEMBL30837200 0.71 IDO1 (0.64) IDO1PIM1NOTUMHPGDSCDK2
SCHEMBL5527507 0.69 IDO1 (0.34) IDO1
SCHEMBL15094515 0.68 ALDH1A1 (0.56) ALDH1A1
SCHEMBL2098518 0.67 ERN1 (0.41) CDK2ALDH1A1POLB

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 2 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
US-20070293507-A1 Pyrazole Kinase Modulators And Methods Of Use EXELIXIS, INC. (US) 2007-12-20 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 (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 IDO1 1615/4885PIM1 323/4885NOTUM 3362/4885

“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.