SCHEMBL13020193

SCHEMBL13020193

CC(C)C(=O)Nc1ncnc2c1cnn2C(C)(C)C

nearest known ligand 0.50

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 1/20 0.50
SIGMAR1 Q99720 11/20 0.47
ABL1 P00519 1/20 0.47
BCR P11274 1/20 0.47
ALDH1A1 P00352 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
RXFP1 Q9HBX9 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40

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
SCHEMBL13020192 0.84 SIGMAR1 (0.58) MAPK14SIGMAR1ABL1BCRALDH1A1
SCHEMBL3784641 0.79 MAPK14 (0.55) MAPK14SIGMAR1ABL1BCRALDH1A1
SCHEMBL13020233 0.74 KDM4E (0.47) ALDH1A1
SCHEMBL19700806 0.73 POLB (0.55) MAPK14ABL1BCRALDH1A1CYP1A2
SCHEMBL13840202 0.73 KDM4E (0.46) ALDH1A1
SCHEMBL22521559 0.69 CYP1A2 (0.47) MAPK14ABL1BCRALDH1A1TDP1
SCHEMBL13020021 0.69 HTT (0.78) MAPK14ABL1ALDH1A1CYP1A2CYP2C9
SCHEMBL3778676 0.68 CCR4 (0.49) MAPK14ABL1BCRALDH1A1
SCHEMBL22521558 0.67 ABL1 (0.45) MAPK14ABL1BCRALDH1A1CYP1A2
SCHEMBL4569746 0.67 ABL1 (0.45) MAPK14ABL1BCRALDH1A1TDP1

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-20100331297-A1 MODULATION OF PROTEIN TRAFFICKING FOLDRX PHARMACEUTICALS, INC. (US) 2010-12-30 US disclosed
US-20100331297-A1 MODULATION OF PROTEIN TRAFFICKING FOLDRX PHARMACEUTICALS, INC. (US) 2010-12-30 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-20100331297-A1 MODULATION OF PROTEIN TRAFFICKING RAB1A, COPB1, GOLT1B MAPK14 1189/4885SIGMAR1 1727/4885ABL1 1725/4885

“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.