SCHEMBL3720342

SCHEMBL3720342

CCOC(=O)c1cn(-c2ncccn2)nc1N

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.46
RAB9A P51151 4/20 0.46
HPGD P15428 3/20 0.46
TP53 P04637 2/20 0.46
MAPK1 P28482 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
ALDH1A1 P00352 7/20 0.44
HSD17B10 Q99714 1/20 0.44
MAPT P10636 3/20 0.43
CSNK1D P48730 2/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
TSHR P16473 3/20 0.42
KDM4E B2RXH2 4/20 0.42
CA12 O43570 1/20 0.41
CA9 Q16790 1/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
ELANE P08246 2/20 0.41

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
SCHEMBL26659396 0.86 NPSR1 (0.47) NPC1RAB9AHPGDTP53MAPK1
SCHEMBL12282767 0.84 HPGD (0.60) NPC1RAB9AHPGDTP53MAPK1
SCHEMBL26659247 0.83 NPSR1 (0.45) NPC1RAB9AHPGDTP53MAPK1
SCHEMBL26659287 0.83 NPSR1 (0.45) NPC1RAB9AHPGDTP53MAPK1
SCHEMBL3724192 0.83 NPSR1 (0.45) NPC1RAB9AHPGDTP53MAPK1
SCHEMBL26659229 0.82 NPSR1 (0.44) NPC1RAB9AHPGDTP53MAPK1
SCHEMBL26659348 0.82 NPSR1 (0.44) NPC1RAB9AHPGDTP53MAPK1
SCHEMBL26659372 0.82 NPSR1 (0.44) NPC1RAB9AHPGDTP53MAPK1
SCHEMBL3723087 0.82 NPSR1 (0.44) NPC1RAB9AHPGDTP53MAPK1
SCHEMBL26659285 0.81 NPSR1 (0.44) NPC1RAB9AHPGDTP53MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9133204-B2 5-membered heterocyclic amides and related compounds H. LUNDBECK A/S (DK) 2015-09-15 US disclosed
US-9133204-B2 5-membered heterocyclic amides and related compounds H. LUNDBECK A/S (DK) 2015-09-15 US disclosed
US-9133204-B2 5-membered heterocyclic amides and related compounds H. LUNDBECK A/S (DK) 2015-09-15 US disclosed
EP-2178865-B1 5-MEMBERED HETEROCYCLIC AMIDES AND RELATED COMPOUNDS LUNDBECK H AS (DK) 2015-08-19 EP disclosed
EP-2178865-B1 5-MEMBERED HETEROCYCLIC AMIDES AND RELATED COMPOUNDS LUNDBECK H AS (DK) 2015-08-19 EP disclosed
US-20150005293-A1 5-Membered Heterocyclic Amides And Related Compounds MINDIMMUNE THERAPEUTICS, INC. 2015-01-01 US disclosed
US-20150005293-A1 5-Membered Heterocyclic Amides And Related Compounds MINDIMMUNE THERAPEUTICS, INC. 2015-01-01 US disclosed
US-20150005293-A1 5-Membered Heterocyclic Amides And Related Compounds MINDIMMUNE THERAPEUTICS, INC. 2015-01-01 US disclosed
US-20100292236-A1 5-Membered Heterocyclic Amides And Related Compounds H. LUNDBECK A/S (DK) 2010-11-18 US disclosed
US-20100292236-A1 5-Membered Heterocyclic Amides And Related Compounds H. LUNDBECK A/S (DK) 2010-11-18 US disclosed
US-20100292236-A1 5-Membered Heterocyclic Amides And Related Compounds H. LUNDBECK A/S (DK) 2010-11-18 US disclosed
EP-2178865-A2 5-MEMBERED HETEROCYCLIC AMIDES AND RELATED COMPOUNDS Lundbeck, H., A/S (DK) 2010-04-28 EP disclosed
WO-2009012482-A2 5-MEMBERED HETEROCYCLIC AMIDES AND RELATED COMPOUNDS H.LUNDBECK A/S (DK) 2009-01-22 WO disclosed
WO-2009012482-A2 5-MEMBERED HETEROCYCLIC AMIDES AND RELATED COMPOUNDS H.LUNDBECK A/S (DK) 2009-01-22 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 (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-20150005293-A1 5-Membered Heterocyclic Amides And Related Compounds GPR35, HCAR2, HCAR1 NPC1 2237/4885RAB9A 718/4885HPGD 388/4885
US-20100292236-A1 5-Membered Heterocyclic Amides And Related Compounds GPR35, HCAR2, HCAR1 NPC1 2237/4885RAB9A 718/4885HPGD 388/4885

“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.