SCHEMBL244036

SCHEMBL244036

CCn1cnc2c(Nc3ccc(Cl)c(Cl)c3)nc(Cl)nc21

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SRC P12931 2/20 0.55
NPC1 O15118 1/20 0.54
CDK1 P06493 10/20 0.52
PRKCA P17252 2/20 0.52
HDAC1 Q13547 2/20 0.48
HDAC2 Q92769 2/20 0.48
HDAC3 O15379 1/20 0.48
HDAC4 P56524 1/20 0.48
HDAC7 Q8WUI4 1/20 0.48
HDAC10 Q969S8 1/20 0.48
HDAC11 Q96DB2 1/20 0.48
HDAC8 Q9BY41 1/20 0.48
HDAC6 Q9UBN7 1/20 0.48
HDAC9 Q9UKV0 1/20 0.48
HDAC5 Q9UQL6 1/20 0.48
CTSV O60911 1/20 0.47
CTSL P07711 1/20 0.47
CTSB P07858 1/20 0.47
CTSH P09668 1/20 0.47
CTSS P25774 1/20 0.47

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
SCHEMBL5840868 0.88 YTHDC1 (0.52) SRCNPC1CDK1PRKCAHDAC1
SCHEMBL183315 0.86 SRC (0.61) SRCNPC1CDK1PRKCAHDAC1
SCHEMBL3352454 0.84 NPC1 (0.74) NPC1CDK1PRKCAYTHDC1CCNB2
SCHEMBL29444624 0.84 NPC1 (0.74) NPC1CDK1PRKCAYTHDC1CCNB2
SCHEMBL5840144 0.84 CDK1 (0.65) SRCNPC1CDK1HDAC1HDAC2
SCHEMBL3379300 0.84 YTHDC1 (0.60) SRCNPC1CDK1PRKCAHDAC1
SCHEMBL5840317 0.82 CDK1 (0.68) NPC1CDK1PRKCACTSVCTSL
SCHEMBL183310 0.82 NPC1 (0.49) SRCNPC1CDK1PRKCAHDAC1
SCHEMBL240874 0.82 KCNN3 (0.61) SRCNPC1CDK1PRKCA
SCHEMBL6576992 0.81 SRC (0.56) SRCNPC1CDK1PRKCAHDAC1

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120004246-A1 PURINYL DERIVATIVES AND THEIR USE AS POTASSIUM CHANNEL MODULATORS NEUROSEARCH A/S (DK) 2012-01-05 US disclosed
US-20120004246-A1 PURINYL DERIVATIVES AND THEIR USE AS POTASSIUM CHANNEL MODULATORS NEUROSEARCH A/S (DK) 2012-01-05 US disclosed
US-20120004246-A1 PURINYL DERIVATIVES AND THEIR USE AS POTASSIUM CHANNEL MODULATORS NEUROSEARCH A/S (DK) 2012-01-05 US disclosed
EP-2144911-A2 PURINYL DERIVATIVES AND THEIR USE AS POTASSIUM CHANNEL MODULATORS NeuroSearch AS (DK) 2010-01-20 EP disclosed
WO-2008116912-A2 PURINYL DERIVATIVES AND THEIR USE AS POTASSIUM CHANNEL MODULATORS NEUROSEARCH A/S (DK) 2008-10-02 WO disclosed
WO-2008116912-A2 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-20120004246-A1 PURINYL DERIVATIVES AND THEIR USE AS POTASSIUM CHANNEL MODULATORS KCNJ2, KCNJ5, KCNJ3 SRC 3194/4885NPC1 911/4885CDK1 4042/4885

“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.