SCHEMBL3207984

SCHEMBL3207984

c1nc(CCNCC2CCNCC2)c[nH]1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GNAI3 P08754 1/20 0.41
GNAO1 P09471 1/20 0.41
GNAI1 P63096 1/20 0.41
PRMT5 O14744 1/20 0.40
WDR77 Q9BQA1 1/20 0.40
ANPEP P15144 1/20 0.36
ERAP2 Q6P179 1/20 0.36
ROCK2 O75116 1/20 0.34
ROCK1 Q13464 1/20 0.34
CDC42BPB Q9Y5S2 1/20 0.34
HRH3 Q9Y5N1 4/20 0.34
CHEK1 O14757 1/20 0.33
HRH4 Q9H3N8 1/20 0.33
AURKA O14965 1/20 0.32
RPS6KB1 P23443 1/20 0.32
KDM1A O60341 3/20 0.32
MAOB P27338 3/20 0.32
MAOA P21397 2/20 0.32
CHRM1 P11229 1/20 0.32
PIM1 P11309 1/20 0.31

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
SCHEMBL6353897 0.80 HRH3 (0.49) HRH3HRH4
SCHEMBL3208258 0.77 CHRNA3 (0.35) HRH3
SCHEMBL15139142 0.77 HRH3 (0.51) HRH3HRH4
SCHEMBL31364603 0.77 ALDH1A1 (0.31)
SCHEMBL31364605 0.77 ALDH1A1 (0.31)
SCHEMBL3207976 0.76 GNAI3 (0.45) GNAI3GNAO1GNAI1
Immepip SCHEMBL6347746 0.76 HRH3 (0.46) HRH3HRH4
Bromide SCHEMBL15130221 0.76 HRH3 (0.50) HRH3HRH4
Immepip SCHEMBL6354845 0.74 HRH3 (0.47) HRH3HRH4
SCHEMBL4676136 0.74 CYP2D6 (0.38) PRMT5WDR77HRH3CHEK1HRH4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7683097-B2 Topoisomerase inhibitors Propharmacon Inc. (US) 2010-03-23 US claimed
US-7683097-B2 Topoisomerase inhibitors Propharmacon Inc. (US) 2010-03-23 US disclosed
US-20070004701-A1 Topoisomerase inhibitors PROPHARMACON, INC. (US) 2007-01-04 US disclosed
WO-2006022955-A2 TOPOISOMERASE INHIBITORS PROPHARMACON, INC. (US) 2006-03-02 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 (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-20070004701-A1 Topoisomerase inhibitors TOP1, TOP2A, TOP2B GNAI3 2049/4885GNAO1 3564/4885GNAI1 1676/4885

“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.