SCHEMBL559546

SCHEMBL559546

Clc1ncc2sccc2n1.NC1CCNCC1

nearest known ligand 0.34

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
PRKCI P41743 1/20 0.32
ADORA2A P29274 1/20 0.31
ADORA1 P30542 1/20 0.31
NMT1 P30419 1/20 0.31
HTR2C P28335 2/20 0.30

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
SCHEMBL29861959 0.81 ADORA2A (0.42) ADORA2AADORA1
SCHEMBL358864 0.81 ADORA2A (0.42) ADORA2AADORA1
SCHEMBL19117793 0.65 ADORA3 (0.48) ADORA2AADORA1
SCHEMBL22241885 0.64 MAPK6 (0.47)
SCHEMBL996451 0.64 ADORA2A (0.42) ADORA2AADORA1
SCHEMBL27924344 0.63 CXCR4 (0.40) MEN1KMT2AHTR2C
SCHEMBL28253318 0.62 ADORA2A (0.40) PRKCIADORA2AADORA1
Piperazine SCHEMBL21803298 0.62 HTR2C (0.43) MEN1KMT2AHTR2C
SCHEMBL6105107 0.60 KDM4E (0.39) RAB9A
SCHEMBL30960690 0.60 KDM4E (0.39)

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-9271979-B2 Deuterium-enriched pyrimidine compounds and derivatives DHANOA DALJIT SINGH (US) 2016-03-01 US disclosed
US-9271980-B2 Deuterium-enriched pyrimidine compounds and derivatives DHANOA DALJIT SINGH (US) 2016-03-01 US disclosed
US-8618116-B2 Deuterium-enriched pyrimidine compounds and derivatives DHANOA DALJIT SINGH (US) 2013-12-31 US disclosed
US-20130040957-A1 Deuterium-Enriched Pyrimidine Compounds and Derivatives Dhanoa, Daljit Singh (US) 2013-02-14 US disclosed
US-20120035191-A1 Deuterium-enriched pyrimidine compounds and derivatives DHANOA DALJIT SINGH (US) 2012-02-09 US disclosed
US-20110028496-A1 Deuterium-enriched pyrimidine compounds and derivatives DHANOA DALJIT SINGH 2011-02-03 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 (3 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-20110028496-A1 Deuterium-enriched pyrimidine compounds and derivatives DPYD, DHPS, DHODH MEN1 4284/4885KMT2A 3655/4885NPC1 530/4885
US-20120035191-A1 Deuterium-enriched pyrimidine compounds and derivatives DBH, OPRK1, PYGB MEN1 2678/4885KMT2A 4095/4885NPC1 652/4885
US-20130040957-A1 Deuterium-Enriched Pyrimidine Compounds and Derivatives HTR2C, HTR2A, HTR5A MEN1 1902/4885KMT2A 1990/4885NPC1 3861/4885

“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.