SCHEMBL8738734

SCHEMBL8738734

Nc1cc(-n2ccnn2)cc(C(F)(F)F)c1

nearest known ligand 0.60

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 15/20 0.60
NR2E1 Q9Y466 1/20 0.46
KEAP1 Q14145 1/20 0.41
CNR1 P21554 1/20 0.39
EGLN2 Q96KS0 1/20 0.37
AR P10275 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2C9 P11712 1/20 0.37
CHRNB2 P17787 1/20 0.37
CYP2B6 P20813 1/20 0.37
MAOA P21397 1/20 0.37
CYP2C19 P33261 1/20 0.37
CHRNA4 P43681 1/20 0.37
HTR3A P46098 1/20 0.37

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
SCHEMBL10980403 0.88 NOTUM (0.70) NOTUMKEAP1CNR1EGLN2AR
SCHEMBL14955603 0.82 NOTUM (0.57) NOTUMKEAP1
SCHEMBL12012868 0.77 NR2E1 (0.46) NOTUMNR2E1CNR1AR
SCHEMBL10685651 0.75 NOTUM (0.62) NOTUMKEAP1EGLN2CYP1A2CYP2C9
SCHEMBL10933201 0.75 NOTUM (1.00) NOTUMKEAP1
SCHEMBL2627306 0.75 NOTUM (0.55) NOTUMKEAP1EGLN2
SCHEMBL14955543 0.73 NOTUM (0.47) NOTUMKEAP1
SCHEMBL28132535 0.73 NR2E1 (0.56) NOTUMNR2E1CNR1
SCHEMBL8739094 0.73 NR2E1 (0.50) NOTUMNR2E1CNR1ARCYP1A2
SCHEMBL10684672 0.73 NOTUM (0.55) NOTUMKEAP1CYP1A2CYP2C9CHRNB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103896865-B 1,4-pentadiene-3-ketone compounds containing triazole amide and preparation method and application thereof 兴义民族师范学院 2017-03-22 CN claimed
CN-103896865-A 1,4-pentadiene-3-ketone compounds containing triazole amide and preparation method and application thereof XINGYI NORMAL UNIVERSITY FOR NATIONALITIES 2014-07-02 CN claimed
CN-103896865-B 1,4-pentadiene-3-ketone compounds containing triazole amide and preparation method and application thereof 兴义民族师范学院 2017-03-22 CN disclosed
US-20150297595-A1 INHIBITORS OF SYK AND JAK PROTEIN KINASES PORTOLA PHARMACEUTICALS, INC. 2015-10-22 US disclosed
EP-2323993-B1 2,6-DIAMINO- PYRIMIDIN- 5-YL-CARBOXAMIDES AS SYK OR JAK KINASES INHIBITORS PORTOLA PHARM INC (US) 2015-06-03 EP disclosed
US-8952027-B2 Inhibitors of syk and JAK protein kinases PORTOLA PHARMACEUTICALS, INC. (US) 2015-02-10 US disclosed
CN-103896865-A 1,4-pentadiene-3-ketone compounds containing triazole amide and preparation method and application thereof XINGYI NORMAL UNIVERSITY FOR NATIONALITIES 2014-07-02 CN disclosed
US-8349860-B2 Inhibitors of syk and JAK protein kinases PORTOLA PHARMACEUTICALS, INC. (US) 2013-01-08 US disclosed
US-8318755-B2 Inhibitors of SYK and JAK protein kinases PORTOLA PHARMACEUTICALS, INC. (US) 2012-11-27 US disclosed
US-20120130073-A1 INHIBITORS OF SYK AND JAK PROTEIN KINASES PORTOLA PHARMACEUTICALS, INC. (US) 2012-05-24 US disclosed
US-20120101275-A1 INHIBITORS OF SYK AND JAK PROTEIN KINASES PORTOLA PHARMACEUTICALS, INC. (US) 2012-04-26 US disclosed
US-8063058-B2 Inhibitors of syk and JAK protein kinases PORTOLA PHARMACEUTICALS, INC. (US) 2011-11-22 US disclosed
US-8063058-B2 Inhibitors of syk and JAK protein kinases PORTOLA PHARMACEUTICALS, INC. (US) 2011-11-22 US disclosed
US-20100048567-A1 Inhibitors of syk and JAK protein kinases PORTOLA PHARMACEUTICALS INC. (US) 2010-02-25 US disclosed
US-20100048567-A1 Inhibitors of syk and JAK protein kinases PORTOLA PHARMACEUTICALS INC. (US) 2010-02-25 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 (4 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-20150297595-A1 INHIBITORS OF SYK AND JAK PROTEIN KINASES SYK, BTK, JAK1 NOTUM 828/4885NR2E1 4704/4885KEAP1 3382/4885
US-20120130073-A1 INHIBITORS OF SYK AND JAK PROTEIN KINASES SYK, BTK, JAK1 NOTUM 828/4885NR2E1 4704/4885KEAP1 3382/4885
US-20120101275-A1 INHIBITORS OF SYK AND JAK PROTEIN KINASES SYK, BTK, JAK1 NOTUM 828/4885NR2E1 4704/4885KEAP1 3382/4885
US-20100048567-A1 Inhibitors of syk and JAK protein kinases SYK, BTK, JAK1 NOTUM 828/4885NR2E1 4704/4885KEAP1 3382/4885

“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.