SCHEMBL3618285

SCHEMBL3618285

N#Cc1cc(-c2ccnc(Cl)c2)[nH]c1N1CCCC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 5/20 0.40
CDC7 O00311 2/20 0.40
MAP4K4 O95819 1/20 0.40
CDK2 P24941 1/20 0.40
MAPKAPK2 P49137 1/20 0.40
GSK3B P49841 1/20 0.40
HIPK2 Q9H2X6 1/20 0.40
CLK4 Q9HAZ1 1/20 0.40
IRAK4 Q9NWZ3 1/20 0.40
ROCK1 Q13464 4/20 0.39
CDC42BPB Q9Y5S2 4/20 0.39
KCNMA1 Q12791 2/20 0.39
CDC42BPA Q5VT25 2/20 0.39
TBK1 Q9UHD2 1/20 0.39
PIM1 P11309 1/20 0.38
CDK9 P50750 1/20 0.38
CNR2 P34972 3/20 0.37
CNR1 P21554 1/20 0.35
MAPT P10636 2/20 0.34
ALDH1A1 P00352 1/20 0.34

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
SCHEMBL3609410 0.90 CDK9 (0.49) ROCK2CDC7MAP4K4CDK2MAPKAPK2
SCHEMBL3618175 0.89 TBK1 (0.45) ROCK2ROCK1CDC42BPBKCNMA1TBK1
Hydrochloric Acid SCHEMBL3617474 0.89 CDK9 (0.48) ROCK2CDC7MAP4K4CDK2MAPKAPK2
SCHEMBL3617304 0.87 KCNMA1 (0.44) ROCK2CDC7MAP4K4CDK2MAPKAPK2
SCHEMBL3615497 0.87 KCNMA1 (0.48) ROCK2CDC7MAP4K4CDK2MAPKAPK2
SCHEMBL3608996 0.86 CDC7 (0.38) ROCK2CDC7MAP4K4CDK2MAPKAPK2
SCHEMBL13408151 0.81 NR1H2 (0.44) TBK1KMT2A
SCHEMBL14283679 0.81 CDC7 (0.42) ROCK2CDC7MAP4K4CDK2MAPKAPK2
SCHEMBL3616822 0.80 NR1H2 (0.47) TBK1
SCHEMBL3617867 0.77 RET (0.45)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100105664-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2010-04-29 US disclosed
US-20100105664-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2010-04-29 US disclosed
US-20100105664-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2010-04-29 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-20100105664-A1 ORGANIC COMPOUNDS SLCO1B3, SLCO1B1, SLC10A6 ROCK2 3665/4885CDC7 4089/4885MAP4K4 3364/4885

“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.