SCHEMBL3595003

SCHEMBL3595003

Clc1nc(NC2CCCCC2)c2c(ncn2Cc2ccccc2)n1

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CTSL P07711 1/20 0.53
CTSB P07858 1/20 0.53
YTHDC1 Q96MU7 2/20 0.50
SMN1; SMN2 Q16637 3/20 0.42
MAPK1 P28482 2/20 0.42
HTT P42858 1/20 0.42
ADORA3 P0DMS8 1/20 0.42
KMT2A Q03164 1/20 0.41
PDGFRA P16234 1/20 0.40
CCNE1 P24864 1/20 0.40
CDK2 P24941 1/20 0.40
TP53 P04637 1/20 0.40
TSHR P16473 1/20 0.40
HSD17B10 Q99714 1/20 0.40
BRS3 P32247 1/20 0.40
ALDH1A1 P00352 1/20 0.40
FLT3 P36888 1/20 0.39
PDE5A O76074 1/20 0.39

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
SCHEMBL2881233 0.82 ADORA2A (0.50) CTSLCTSBYTHDC1SMN1; SMN2ADORA3
SCHEMBL183730 0.77 AXL (0.48) ADORA3KMT2A
SCHEMBL183221 0.76 YTHDC1 (0.48) YTHDC1SMN1; SMN2MAPK1HTTKMT2A
SCHEMBL183167 0.75 YTHDC1 (0.47) YTHDC1SMN1; SMN2MAPK1HTTKMT2A
SCHEMBL29601245 0.75 YTHDC1 (0.47) YTHDC1SMN1; SMN2MAPK1HTTKMT2A
SCHEMBL16331916 0.72 CTSL (0.61) CTSLCTSBYTHDC1ADORA3FLT3
SCHEMBL7985354 0.70 SMN1; SMN2 (0.43) CTSLCTSBSMN1; SMN2KMT2ATSHR
SCHEMBL15921507 0.69 MDM2 (0.48) CCNE1CDK2
SCHEMBL15921504 0.69 MDM2 (0.48) CCNE1CDK2
SCHEMBL17262783 0.69 YTHDC1 (0.61) CTSLCTSBYTHDC1ADORA3PDGFRA

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-20100152210-A1 PURINYL DERIVATIVES AND THEIR USE AS POTASSIUM CHANNEL MODULATORS NEURO SEARCH A/S/ (DK) 2010-06-17 US disclosed
US-20100152210-A1 PURINYL DERIVATIVES AND THEIR USE AS POTASSIUM CHANNEL MODULATORS NEURO SEARCH A/S/ (DK) 2010-06-17 US disclosed
US-20100152210-A1 PURINYL DERIVATIVES AND THEIR USE AS POTASSIUM CHANNEL MODULATORS NEURO SEARCH A/S/ (DK) 2010-06-17 US disclosed
WO-2008116911-A1 PURINYL DERIVATIVES AND THEIR USE AS POTASSIUM CHANNEL MODULATORS NEUROSEARCH A/S (DK) 2008-10-02 WO 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-20100152210-A1 PURINYL DERIVATIVES AND THEIR USE AS POTASSIUM CHANNEL MODULATORS KCNJ2, KCNJ5, KCNJ3 CTSL 4083/4885CTSB 4269/4885YTHDC1 3259/4885

“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.