SCHEMBL15760259

SCHEMBL15760259

CCc1cn2ccnc2c(N2CC[C@H](N)C2)n1

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 5/20 0.46
AKT1 P31749 3/20 0.39
HTR2C P28335 1/20 0.39
HRH3 Q9Y5N1 2/20 0.37
PIK3R1 P27986 1/20 0.37
PIK3CA P42336 1/20 0.37
ACKR3 P25106 3/20 0.36
PDE10A Q9Y233 1/20 0.34
IRAK1 P51617 1/20 0.34
IRAK4 Q9NWZ3 1/20 0.34

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
SCHEMBL15754793 0.79 ACKR3 (0.46) AKT1ACKR3
SCHEMBL15754795 0.79 ACKR3 (0.46) AKT1ACKR3
SCHEMBL17206756 0.79 ACKR3 (0.46) AKT1ACKR3
SCHEMBL15760241 0.78 HRH4 (0.46) HRH4AKT1HRH3ACKR3IRAK1
SCHEMBL15758719 0.78 HRH4 (0.46) HRH4AKT1HRH3ACKR3IRAK1
Hydrochloric Acid SCHEMBL15754900 0.77 ACKR3 (0.46) AKT1ACKR3
Hydrochloric Acid SCHEMBL15754947 0.77 ACKR3 (0.46) AKT1ACKR3
Hydrochloric Acid SCHEMBL15754495 0.77 ACKR3 (0.46) AKT1ACKR3
Hydrochloric Acid SCHEMBL15754590 0.77 ACKR3 (0.46) AKT1ACKR3
Hydrochloric Acid SCHEMBL15754734 0.77 ACKR3 (0.46) AKT1ACKR3

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-20140154179-A1 CXCR7 ANTAGONISTS CHEMOCENTRYX, INC. (US) 2014-06-05 US disclosed
US-20140154179-A1 CXCR7 ANTAGONISTS CHEMOCENTRYX, INC. (US) 2014-06-05 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-20140154179-A1 CXCR7 ANTAGONISTS CXCR1, CXCR5, CCR7 HRH4 247/4885AKT1 1223/4885HTR2C 865/4885

“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.