SCHEMBL10112699

SCHEMBL10112699

C#CCOC(=O)Nc1cnc(N2CCC3(CC2)CCN([C@H]2CC[C@@H](O)CC2)C3=O)c(C)c1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 1/20 0.35
PRKACA P17612 1/20 0.35
PRKACG P22612 1/20 0.35
PRKACB P22694 1/20 0.35
LIMK1 P53667 1/20 0.35
TSHR P16473 1/20 0.32
FSHR P23945 1/20 0.32
AGPAT2 O15120 5/20 0.32
DHODH Q02127 2/20 0.32
MALT1 Q9UDY8 1/20 0.31
OGA O60502 1/20 0.31
OPRK1 P41145 2/20 0.31
JAK2 O60674 1/20 0.31
JAK1 P23458 1/20 0.31
TYK2 P29597 1/20 0.31
JAK3 P52333 1/20 0.31
LIMK2 P53671 1/20 0.31
ALDH1A1 P00352 1/20 0.30
CYP1A2 P05177 1/20 0.30
CYP2D6 P10635 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
SCHEMBL4570221 0.94 ROCK2 (0.32) ROCK2PRKACAPRKACGPRKACBLIMK1
SCHEMBL17082148 0.94 ROCK2 (0.32) ROCK2PRKACAPRKACGPRKACBLIMK1
SCHEMBL10112680 0.91 ALDH1A1 (0.37) TSHRFSHRDHODHOGAOPRK1
SCHEMBL10112717 0.90 MALT1 (0.39) AGPAT2MALT1ALDH1A1CYP1A2CYP2D6
SCHEMBL10112691 0.89 SMN1; SMN2 (0.36) ROCK2PRKACAPRKACGPRKACBLIMK1
SCHEMBL10112674 0.89 OPRK1 (0.36) DHODHMALT1OGAOPRK1JAK2
SCHEMBL5629463 0.86 DHODH (0.38) DHODHMALT1OGAOPRK1JAK2
SCHEMBL4722689 0.86 DHODH (0.38) DHODHMALT1OGAOPRK1JAK2
SCHEMBL5629581 0.85 MALT1 (0.40) MALT1LIMK2
SCHEMBL5629589 0.85 MALT1 (0.40) MALT1LIMK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8193207-B2 Lactam compounds and methods of using the same INCYTE CORPORATION (US) 2012-06-05 US disclosed
US-8193207-B2 Lactam compounds and methods of using the same INCYTE CORPORATION (US) 2012-06-05 US disclosed
US-20070129345-A1 Lactam compounds and methods of using the same INCYTE CORPORATION 2007-06-07 US disclosed
US-20070129345-A1 Lactam compounds and methods of using the same INCYTE CORPORATION 2007-06-07 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-20070129345-A1 Lactam compounds and methods of using the same HSD11B1, HSD17B11, HSD17B1 ROCK2 4125/4885PRKACA 962/4885PRKACG 1423/4885

“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.