SCHEMBL21614331

SCHEMBL21614331

CCCCNC(=N)Nc1nc2ccccc2[nH]1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCHE P06276 1/20 0.64
TRPC3 Q13507 1/20 0.64
TRPC4 Q9UBN4 1/20 0.64
TRPC5 Q9UL62 1/20 0.64
NPC1 O15118 5/20 0.60
RAB9A P51151 5/20 0.60
ALDH1A1 P00352 2/20 0.60
SMN1; SMN2 Q16637 2/20 0.60
SPHK2 Q9NRA0 1/20 0.58
SPHK1 Q9NYA1 1/20 0.58
LMNA P02545 1/20 0.52
PKM P14618 3/20 0.49
KLF5 Q13887 2/20 0.49
CYP3A4 P08684 1/20 0.49
TSHR P16473 1/20 0.48
MAPK1 P28482 1/20 0.47
HSD17B10 Q99714 1/20 0.47
MAOB P27338 1/20 0.47
ADORA2A P29274 1/20 0.47
MAPT P10636 1/20 0.46

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
SCHEMBL8337701 0.86 LMNA (0.57) BCHETRPC3TRPC4TRPC5NPC1
SCHEMBL21618516 0.84 BCHE (0.64) BCHETRPC3TRPC4TRPC5NPC1
SCHEMBL11742917 0.84 NPC1 (0.67) BCHETRPC3TRPC4TRPC5NPC1
SCHEMBL19820720 0.81 LMNA (0.65) NPC1RAB9AALDH1A1SMN1; SMN2LMNA
SCHEMBL28299500 0.80 NPC1 (0.61) BCHETRPC3TRPC4TRPC5NPC1
SCHEMBL5973026 0.80 LMNA (0.69) BCHETRPC3TRPC4TRPC5NPC1
SCHEMBL11703652 0.80 SPHK2 (0.70) BCHETRPC3TRPC4TRPC5NPC1
SCHEMBL22619945 0.79 BCHE (1.00) BCHETRPC3TRPC4TRPC5NPC1
Hydrochloric Acid SCHEMBL23295188 0.77 BCHE (0.97) BCHETRPC3TRPC4TRPC5NPC1
SCHEMBL9721993 0.77 NPC1 (0.61) BCHETRPC3TRPC4TRPC5NPC1

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-10647735-B2 Metal complexes and methods of preparing the same UNIVERSITY OF NEW BRUNSWICK (CA) 2020-05-12 US disclosed
US-10647735-B2 Metal complexes and methods of preparing the same UNIVERSITY OF NEW BRUNSWICK (CA) 2020-05-12 US disclosed
US-20200017535-A1 METAL COMPLEXES AND METHODS OF PREPARING THE SAME UNIVERSITY OF NEW BRUNSWICK (CA) 2020-01-16 US disclosed
US-20200017535-A1 METAL COMPLEXES AND METHODS OF PREPARING THE SAME UNIVERSITY OF NEW BRUNSWICK (CA) 2020-01-16 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 (2 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-10647735-B2 Metal complexes and methods of preparing the same CACYBP, CLTB, VDAC2 BCHE 4274/4885TRPC3 226/4885TRPC4 490/4885
US-20200017535-A1 METAL COMPLEXES AND METHODS OF PREPARING THE SAME CACYBP, CLTB, VDAC2 BCHE 4274/4885TRPC3 226/4885TRPC4 490/4885

“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.