SCHEMBL20641306

SCHEMBL20641306

Cc1cccc(-c2nc(N)sc2C)n1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 4/20 0.53
MAPK14 Q16539 1/20 0.53
CCR1 P32246 1/20 0.52
CCR8 P51685 1/20 0.52
MPL P40238 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.46
NOS3 P29474 1/20 0.44
NOS2 P35228 1/20 0.44
CD274 Q9NZQ7 1/20 0.41
NOS1 P29475 1/20 0.41
FBP1 P09467 1/20 0.40
ALDH1A1 P00352 1/20 0.40
ADORA2A P29274 1/20 0.39
ADORA1 P30542 1/20 0.39
CYP2A6 P11509 1/20 0.39
KDM4E B2RXH2 1/20 0.39
LMNA P02545 1/20 0.39
MAPT P10636 1/20 0.39
XBP1 P17861 1/20 0.39
MAPK1 P28482 1/20 0.39

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
SCHEMBL30693366 1.00 TGFBR1 (0.53) TGFBR1MAPK14CCR1CCR8MPL
SCHEMBL20641330 0.83 MPL (0.51) TGFBR1MAPK14MPLSMN1; SMN2CD274
SCHEMBL30693356 0.83 MPL (0.51) TGFBR1MAPK14MPLSMN1; SMN2CD274
SCHEMBL19638056 0.79 TGFBR1 (0.48) TGFBR1MAPK14CCR1CCR8SMN1; SMN2
SCHEMBL11796387 0.77 TGFBR1 (0.56) TGFBR1CCR1CCR8SMN1; SMN2KDM4E
Bromide SCHEMBL29078717 0.76 TGFBR1 (0.54) TGFBR1CCR1CCR8SMN1; SMN2KDM4E
SCHEMBL924763 0.75 TGFBR1 (0.53) TGFBR1MAPK14CCR1CCR8SMN1; SMN2
SCHEMBL27843646 0.73 NOS1 (0.62) MPLSMN1; SMN2CD274NOS1FBP1
SCHEMBL330423 0.72 SMN1; SMN2 (0.64) MPLSMN1; SMN2CD274ALDH1A1KDM4E
SCHEMBL3151901 0.72 CCR1 (0.58) TGFBR1MAPK14CCR1CCR8NOS3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110869360-B Phenylacetamides as ROCK inhibitors 百时美施贵宝公司 2023-12-15 CN disclosed
EP-3652164-B1 PHENYLACETAMIDES AS INHIBITORS OF ROCK BRISTOL MYERS SQUIBB CO (US) 2023-06-21 EP disclosed
US-11306081-B2 Phenylacetamides as inhibitors of rock BRISTOL-MYERS SQUIBB COMPANY (US) 2022-04-19 US disclosed
US-20210147407-A1 PHENYLACETAMIDES AS INHIBITORS OF ROCK BRISTOL MYERS SQUIBB CO (US) 2021-05-20 US disclosed
EP-3652164-A1 PHENYLACETAMIDES AS INHIBITORS OF ROCK Bristol-Myers Squibb Company (US) 2020-05-20 EP disclosed
CN-110869360-A Phenylacetamides as ROCK inhibitors 百时美施贵宝公司 2020-03-06 CN disclosed
WO-2019014300-A1 PHENYLACETAMIDES AS INHIBITORS OF ROCK BRISTOL-MYERS SQUIBB COMPANY (US) 2019-01-17 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 (2 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-20210147407-A1 PHENYLACETAMIDES AS INHIBITORS OF ROCK MYLK, ROCK1, ROCK2 TGFBR1 200/4885MAPK14 93/4885CCR1 2497/4885
US-11306081-B2 Phenylacetamides as inhibitors of rock MYLK, ROCK1, ROCK2 TGFBR1 200/4885MAPK14 93/4885CCR1 2497/4885

“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.