SCHEMBL13769744

SCHEMBL13769744

CCCNc1nc(SC)nc2[nH]nc(C3CCCC3)c12

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.37
CYP2C19 P33261 2/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37
PDE10A Q9Y233 1/20 0.33
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
GABBR2 O75899 1/20 0.32
CYP2C9 P11712 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
GABBR1 Q9UBS5 1/20 0.32
ABL1 P00519 3/20 0.30
SRC P12931 3/20 0.30
ADORA1 P30542 1/20 0.30
RAD52 P43351 1/20 0.30

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
SCHEMBL4018383 0.82 KMT2A (0.41) CYP1A2CYP2C19MEN1KMT2AGABBR2
SCHEMBL4018380 0.82 KMT2A (0.41) CYP1A2CYP2C19MEN1KMT2AGABBR2
SCHEMBL13769292 0.79 ABL1 (0.34) PDE10AABL1SRC
SCHEMBL27168835 0.62 ALDH1A1 (0.36) KMT2A
SCHEMBL18484573 0.62 CA1 (0.36) CYP1A2CYP2C19CYP3A4CYP2D6ABL1
SCHEMBL10899963 0.62 KMT2A (0.43) CYP1A2CYP2C19MEN1KMT2AGABBR2
SCHEMBL11840208 0.59 CYP3A4 (0.45) CYP1A2CYP2C19CYP3A4CYP2D6ABL1
SCHEMBL2354445 0.59 CYP1A2 (0.48) CYP1A2CYP2C19CYP3A4CYP2D6MEN1
SCHEMBL11834297 0.58 CYP1A2 (0.50) CYP1A2CYP2C19CYP3A4CYP2D6ABL1
SCHEMBL21282880 0.57 CA1 (0.46) CYP1A2CYP2C19CYP3A4CYP2D6PDE10A

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-7566708-B2 Substituted pyrazolo{3,4-D}pyrimidines as p38 map kinase inhibitors ROCHE PALO ALTO LLC (US) 2009-07-28 US disclosed
US-20070203160-A1 p38 MAP kinase inhibitors and methods for using the same ROCHE PALO ALTO LLC 2007-08-30 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-20070203160-A1 p38 MAP kinase inhibitors and methods for using the same MAPKAPK2, MAPK1, MAP3K2 CYP1A2 3826/4885CYP2C19 4750/4885CYP3A4 4641/4885

“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.