SCHEMBL4790140

SCHEMBL4790140

O=C(NCc1nc(-c2ccncc2)no1)c1cccs1

nearest known ligand 0.84

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.84
MAPT P10636 3/20 0.76
ROCK2 O75116 1/20 0.53
GRK2 P25098 1/20 0.53
HPGD P15428 4/20 0.50
ALDH1A1 P00352 3/20 0.50
KMT2A Q03164 2/20 0.50
RAB9A P51151 2/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
KDM4E B2RXH2 1/20 0.50
MEN1 O00255 1/20 0.50
NPC1 O15118 1/20 0.50
TSHR P16473 3/20 0.48
POLB P06746 1/20 0.48
ADRB2 P07550 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
HTT P42858 1/20 0.47
HSD17B10 Q99714 1/20 0.47

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
SCHEMBL4789041 0.79 LMNA (0.56) LMNAMAPTROCK2GRK2HPGD
SCHEMBL5110423 0.76 ROCK2 (0.53) LMNAROCK2GRK2ALDH1A1SMN1; SMN2
SCHEMBL5124609 0.75 MAPT (0.65) LMNAMAPTROCK2GRK2ALDH1A1
SCHEMBL5109338 0.74 LMNA (0.49) LMNAMAPTHPGDALDH1A1KMT2A
SCHEMBL5115271 0.74 ROCK2 (0.62) MAPTROCK2GRK2ALDH1A1RAB9A
SCHEMBL14289648 0.72 TSHR (0.48) LMNAHPGDALDH1A1RAB9ASMN1; SMN2
SCHEMBL4516428 0.72 GPR119 (0.53) LMNAMAPTROCK2GRK2ALDH1A1
SCHEMBL4790116 0.71 TSHR (0.53) LMNAMAPTHPGDALDH1A1KMT2A
SCHEMBL17009252 0.70 RAB9A (0.71) HPGDALDH1A1RAB9ASMN1; SMN2KDM4E
SCHEMBL4758183 0.70 ABL1 (0.50) LMNAHPGDALDH1A1KMT2ASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008011557-A2 HETEROARYL INHIBITORS OF RHO KINASE BORCHARDT ALLEN J (US) 2008-01-24 WO disclosed
WO-2008011557-A2 HETEROARYL INHIBITORS OF RHO KINASE BORCHARDT ALLEN J (US) 2008-01-24 WO disclosed
US-20080021217-A1 HETEROCYCLIC INHIBITORS OF RHO KINASE Borchardt, Allen (US) 2008-01-24 US disclosed
US-20080021217-A1 HETEROCYCLIC INHIBITORS OF RHO KINASE Borchardt, Allen (US) 2008-01-24 US disclosed
US-20080021217-A1 HETEROCYCLIC INHIBITORS OF RHO KINASE Borchardt, Allen (US) 2008-01-24 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-20080021217-A1 HETEROCYCLIC INHIBITORS OF RHO KINASE ROCK1, ROCK2, RHOA LMNA 1847/4885MAPT 1499/4885ROCK2 2/4885

“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.