SCHEMBL2782249

SCHEMBL2782249

COc1cccc(OC)c1CNC(=N)Nc1cc(-c2ccc(F)cc2)ccn1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 4/20 0.43
MAPK10 P53779 3/20 0.43
ROCK2 O75116 1/20 0.41
CYP3A4 P08684 1/20 0.40
AAK1 Q2M2I8 1/20 0.40
NR3C2 P08235 1/20 0.40
GSK3B P49841 8/20 0.39
MAPK14 Q16539 5/20 0.39
CDK1 P06493 3/20 0.39
CDK2 P24941 3/20 0.39
CDK9 P50750 3/20 0.39
CDK3 Q00526 3/20 0.39
CDK5 Q00535 3/20 0.39
GSK3A P49840 3/20 0.39
CCNT1 O60563 2/20 0.39
CCNB1 P14635 2/20 0.39
CCNE1 P24864 2/20 0.39
CCNA1 P78396 2/20 0.39
CDK5R1 Q15078 2/20 0.39
MAPK8 P45983 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
Acetic Acid SCHEMBL2778260 0.95 MAPK1 (0.44) MAPK1MAPK10ROCK2CYP3A4AAK1
SCHEMBL2778791 0.91 MAPK10 (0.47) MAPK1MAPK10ROCK2CYP3A4AAK1
SCHEMBL2781874 0.88 KMT2A (0.46) MAPK1MAPK10ROCK2CYP3A4NR3C2
SCHEMBL17620892 0.84 ROCK2 (0.47) MAPK1ROCK2
Acetic Acid SCHEMBL2780644 0.84 HTT (0.47) MAPK1ROCK2NR3C2GSK3BMAPK14
SCHEMBL2780606 0.83 NPC1 (0.54) MAPK10
SCHEMBL2782439 0.82 NPC1 (0.40) MAPK1MAPK10ROCK2NR3C2
Acetic Acid SCHEMBL2781275 0.80 ROCK2 (0.48) MAPK1ROCK2
SCHEMBL2783259 0.80 SCN9A (0.44) ROCK2
SCHEMBL2781946 0.80 HTT (0.49) MAPK1MAPK10CYP3A4NR3C2

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-9296697-B2 Hetaryl-substituted guanidine compounds and use thereof as binding partners for 5-HT5-receptors ABBOTT LABORATORIES (US) 2016-03-29 US claimed
US-9296697-B2 Hetaryl-substituted guanidine compounds and use thereof as binding partners for 5-HT5-receptors ABBOTT LABORATORIES (US) 2016-03-29 US disclosed
US-20100184787-A1 Heataryl-substituted guanidine compounds and use thereof as binding partners for 5-ht5-receptors ABBVIE DEUTSCHLAND GMBH & CO KG (DE) 2010-07-22 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-20100184787-A1 Heataryl-substituted guanidine compounds and use thereof as binding partners for 5-ht5-receptors HTR5A, HTR2C, HTR1E MAPK1 3414/4885MAPK10 3948/4885ROCK2 1943/4885

“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.