SCHEMBL1687974

SCHEMBL1687974

CN1CCCC1CCNc1nc(-c2cc3ccccc3o2)nc2ccccc12

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH2 P25021 1/20 0.51
HRH1 P35367 1/20 0.51
HRH3 Q9Y5N1 1/20 0.51
NPC1 O15118 1/20 0.51
RAB9A P51151 1/20 0.51
ERAP1 Q9NZ08 1/20 0.51
ACP1 P24666 3/20 0.49
CHRNB2 P17787 2/20 0.47
CHRNB1 P11230 1/20 0.47
CHRNB4 P30926 1/20 0.47
CHRNA3 P32297 1/20 0.47
CHRNB3 Q05901 1/20 0.47
CACNA1B Q00975 1/20 0.44
APBA1 Q02410 1/20 0.44
CAMK2D Q13557 1/20 0.43
RAD52 P43351 2/20 0.43
HSD17B10 Q99714 3/20 0.42
USP2 O75604 3/20 0.42
CYP1A2 P05177 3/20 0.42
CYP3A4 P08684 3/20 0.42

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
SCHEMBL1289473 0.85 NPC1 (0.47) HRH2HRH1HRH3NPC1RAB9A
Hydrochloric Acid SCHEMBL4510646 0.84 NPC1 (0.47) HRH2HRH1HRH3NPC1RAB9A
SCHEMBL1289397 0.81 ACP1 (0.67) HRH3ACP1HSD17B10USP2CYP1A2
Hydrochloric Acid SCHEMBL4511035 0.80 ACP1 (0.66) HRH3ACP1HSD17B10USP2CYP1A2
SCHEMBL1289411 0.79 MAPK1 (0.57) HRH3ACP1RAD52HSD17B10USP2
SCHEMBL1289434 0.77 MAPK1 (0.71) NPC1RAB9AACP1RAD52HSD17B10
SCHEMBL18354086 0.77 GBA1 (0.70) CYP1A2CYP3A4CYP2D6CLK4GBA1
SCHEMBL1289433 0.77 TLR9 (0.62) ACP1RAD52MAPK1
Hydrochloric Acid SCHEMBL4511251 0.76 MAPK1 (0.70) NPC1RAB9AACP1RAD52HSD17B10
SCHEMBL4498537 0.75 PDE5A (0.58) ACP1RAD52GBA1MAPK1

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
WO-2012046207-A1 ANTI-PARASITIC SUBSTITUTED RING FUSED AZINE COMPOUNDS PARACO TECHNOLOGY LIMITED (NZ) 2012-04-12 WO disclosed
US-20090318479-A1 SUBSTITUTED RING FUSED AZINES AND THEIR USE IN CANCER THERAPY AUCKLAND UNISERVICES LIMITED 2009-12-24 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-20090318479-A1 SUBSTITUTED RING FUSED AZINES AND THEIR USE IN CANCER THERAPY TP53, AZI2, MCL1 HRH2 1301/4885HRH1 2301/4885HRH3 1451/4885

“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.