SCHEMBL5464944

SCHEMBL5464944

O=C(Nc1nccc(-c2ccccn2)n1)c1ccccc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F2 P00734 1/20 0.60
F12 P00748 1/20 0.60
PLAU P00749 1/20 0.60
ADORA3 P0DMS8 6/20 0.58
KDM4A O75164 2/20 0.58
KDM4B O94953 1/20 0.58
KDM5B Q9UGL1 1/20 0.58
ADORA1 P30542 2/20 0.55
CDC7 O00311 1/20 0.53
CYP1A2 P05177 1/20 0.51
CYP3A4 P08684 1/20 0.51
CYP2C19 P33261 1/20 0.51
NPC1 O15118 2/20 0.50
RAB9A P51151 2/20 0.50
ADORA2A P29274 1/20 0.50
PRKD3 O94806 1/20 0.50
ABL1 P00519 1/20 0.50
PRKCG P05129 1/20 0.50
PRKCB P05771 1/20 0.50
PDGFRB P09619 1/20 0.50

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
SCHEMBL5470852 0.86 ADORA1 (0.69) F2F12ADORA3ADORA1CDC7
SCHEMBL10960560 0.84 KDM4E (0.48) KDM4ACYP1A2NPC1RAB9AABL1
SCHEMBL3123402 0.83 ABL1 (0.74) PRKD3ABL1PRKCGPRKCBPDGFRB
SCHEMBL997872 0.82 RAB9A (0.59) F2F12PLAUADORA1NPC1
SCHEMBL5472823 0.80 ADORA1 (0.57) ADORA1CDC7NPC1RAB9APRKD3
SCHEMBL5478064 0.80 KMT2A (0.52) F2F12PLAUADORA3ADORA1
SCHEMBL5473232 0.80 DYRK1A (0.63) ADORA3ADORA1CYP1A2CYP3A4CYP2C19
SCHEMBL5472470 0.80 ADORA3 (0.65) ADORA3ADORA1ADORA2APRKD3ABL1
SCHEMBL5467372 0.80 CDC7 (0.52) F2F12PLAUADORA3ADORA1
SCHEMBL29238957 0.80 RAB9A (0.57) F2F12PLAUADORA1NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070099938-A1 Antistress drug and medical use thereof ONO PHARMACEUTICAL CO., LTD. (JP) 2007-05-03 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-20070099938-A1 Antistress drug and medical use thereof NPSR1, MC2R, SRR F2 3627/4885F12 3309/4885PLAU 3293/4885

“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.