SCHEMBL25162016

SCHEMBL25162016

NCc1ccc(-c2nnc(-c3ccc(CN)cn3)nn2)nc1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 1/20 0.41
LOXL2 Q9Y4K0 6/20 0.40
HRH3 Q9Y5N1 1/20 0.37
TP53 P04637 3/20 0.37
RRM2 P31350 1/20 0.36
NPC1 O15118 3/20 0.35
RAB9A P51151 3/20 0.35
SMN1; SMN2 Q16637 3/20 0.35
PKM P14618 1/20 0.35
HSD17B10 Q99714 1/20 0.35
ABAT P80404 1/20 0.34
F10 P00742 1/20 0.34
ST14 Q9Y5Y6 1/20 0.34
CYP11B1 P15538 2/20 0.33
CYP11B2 P19099 2/20 0.33
CYP2A6 P11509 1/20 0.33

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
SCHEMBL26101758 0.91 ADRB2 (0.35) ADRB2LOXL2HRH3TP53RRM2
SCHEMBL17791755 0.88 LOXL2 (0.39) ADRB2LOXL2HRH3TP53RRM2
SCHEMBL351473 0.86 LOXL2 (0.46) ADRB2LOXL2HRH3RRM2ABAT
SCHEMBL30083539 0.75 CYP11B1 (0.59) LOXL2NPC1RAB9ASMN1; SMN2CYP11B1
SCHEMBL1720975 0.75 CYP11B1 (0.59) LOXL2NPC1RAB9ASMN1; SMN2CYP11B1
SCHEMBL12486607 0.74 KDM4E (0.54) ADRB2LOXL2TP53NPC1RAB9A
SCHEMBL14355099 0.74 CYP11B1 (0.57) ADRB2LOXL2CYP11B1CYP11B2CYP2A6
SCHEMBL31120747 0.74 KDM4E (0.54) ADRB2LOXL2TP53NPC1RAB9A
Hydrochloric Acid SCHEMBL5010818 0.74 CYP11B1 (0.57) LOXL2NPC1RAB9ASMN1; SMN2CYP11B1
SCHEMBL19543318 0.72 NPC1 (0.49) HRH3TP53NPC1RAB9ASMN1; SMN2

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-20230121556-A1 COMPOUNDS FOR FAST AND EFFICIENT CLICK RELEASE TAGWORKS PHARMACEUTICALS B.V. (NL) 2023-04-20 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-20230121556-A1 COMPOUNDS FOR FAST AND EFFICIENT CLICK RELEASE LTB4R, LTC4S, LTA4H ADRB2 2318/4885LOXL2 210/4885HRH3 1472/4885

“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.