SCHEMBL15064231

SCHEMBL15064231

c1nc(N2CCNC3(CC2)CC3)c2cc[nH]c2n1.c1nc(N2CCNCC3(CC3)C2)c2cc[nH]c2n1

nearest known ligand 0.64

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
JAK3 P52333 9/20 0.64
HTR2C P28335 1/20 0.60
AKT2 P31751 8/20 0.50
GSK3B P49841 6/20 0.50
JAK2 O60674 1/20 0.49
JAK1 P23458 1/20 0.49
TYK2 P29597 1/20 0.49
KIT P10721 1/20 0.49
AKT1 P31749 2/20 0.48
CYP2D6 P10635 1/20 0.48
CYP2C9 P11712 1/20 0.48
RPS6KB1 P23443 1/20 0.48
LCK P06239 2/20 0.47
ENPP1 P22413 1/20 0.45

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
SCHEMBL323332 0.90 HTR2C (0.69) JAK3HTR2CAKT2GSK3BJAK2
SCHEMBL322769 0.88 JAK3 (0.72) JAK3HTR2CAKT2GSK3BKIT
SCHEMBL28379761 0.85 JAK3 (0.61) JAK3HTR2CAKT2GSK3BJAK2
SCHEMBL1048666 0.83 JAK3 (0.80) JAK3HTR2CAKT2GSK3BJAK2
SCHEMBL24491026 0.81 JAK3 (0.88) JAK3HTR2CAKT2GSK3BKIT
SCHEMBL24804166 0.80 HTR2C (0.67) JAK3HTR2CAKT2GSK3BJAK2
SCHEMBL1047971 0.79 JAK3 (0.84) JAK3HTR2CAKT2GSK3BKIT
SCHEMBL10207321 0.78 JAK3 (1.00) JAK3HTR2CAKT2GSK3BKIT
SCHEMBL10206809 0.77 JAK3 (0.93) JAK3HTR2CAKT2GSK3BKIT
SCHEMBL19011824 0.77 JAK3 (0.93) JAK3HTR2CAKT2GSK3BKIT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9586961-B2 Homopiperazine derivatives as protein tyrosine kinase inhibitors and pharmaceutical use thereof LEO PHARMA A/S (DK) 2017-03-07 US disclosed
US-20130172325-A1 NOVEL HOMOPIPERAZINE DERIVATIVES AS PROTEIN TYROSINE KINASE INHIBITORS AND PHARMACEUTICAL USE THEREOF LEO PHARMA A/S (DK) 2013-07-04 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-20130172325-A1 NOVEL HOMOPIPERAZINE DERIVATIVES AS PROTEIN TYROSINE KINASE INHIBITORS AND PHARMACEUTICAL USE THEREOF JAK1, JAK2, JAK3 JAK3 3/4885HTR2C 689/4885AKT2 713/4885

“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.