SCHEMBL298606

SCHEMBL298606

O=C(NC1CC1)c1cnc2[nH]ccc2c1

nearest known ligand 0.52

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HPGDS O60760 9/20 0.52
SMYD3 Q9H7B4 2/20 0.50
FAAH O00519 1/20 0.50
ACKR3 P25106 2/20 0.49
NAMPT P43490 1/20 0.47
MAPK11 Q15759 1/20 0.47
MAPK14 Q16539 1/20 0.47
RIPK1 Q13546 2/20 0.47
IRAK4 Q9NWZ3 1/20 0.46

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
SCHEMBL14844739 0.91 HPGDS (0.57) HPGDSFAAHACKR3NAMPT
SCHEMBL27732330 0.81 RIPK1 (0.56) NAMPTRIPK1IRAK4
SCHEMBL298930 0.79 RIPK1 (0.53) RIPK1IRAK4
SCHEMBL13808678 0.79 RIPK1 (0.55) NAMPTRIPK1IRAK4
SCHEMBL298301 0.79 CDK8 (0.68) HPGDSNAMPTRIPK1IRAK4
SCHEMBL5616823 0.79 NPC1 (0.58) HPGDSSMYD3ACKR3MAPK11MAPK14
SCHEMBL298264 0.77 RIPK1 (0.55) NAMPTRIPK1IRAK4
SCHEMBL4592419 0.77 SMYD3 (0.77) SMYD3MAPK11MAPK14
SCHEMBL27677303 0.75 NAMPT (0.57) NAMPTRIPK1IRAK4
SCHEMBL18129803 0.75 CDK8 (0.52) NAMPTRIPK1IRAK4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120122860-A1 SOLID FORMS OF SULFONAMIDES AND AMINO ACIDS PLEXXIKON, INC. 2012-05-17 US disclosed
US-20120122860-A1 SOLID FORMS OF SULFONAMIDES AND AMINO ACIDS PLEXXIKON, INC. 2012-05-17 US disclosed
US-20120122860-A1 SOLID FORMS OF SULFONAMIDES AND AMINO ACIDS PLEXXIKON, INC. 2012-05-17 US disclosed
EP-2427433-A1 SOLID FORMS OF SULFONAMIDES AND AMINO ACIDS Plexxikon, Inc. (US) 2012-03-14 EP disclosed
WO-2010129570-A1 SOLID FORMS OF SULFONAMIDES AND AMINO ACIDS PLEXXIKON, INC. (US) 2010-11-11 WO disclosed
WO-2010129570-A1 SOLID FORMS OF SULFONAMIDES AND AMINO ACIDS PLEXXIKON, INC. (US) 2010-11-11 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-20120122860-A1 SOLID FORMS OF SULFONAMIDES AND AMINO ACIDS BRAF, RAF1, ARAF HPGDS 488/4885SMYD3 3303/4885FAAH 755/4885

“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.