SCHEMBL3743335

SCHEMBL3743335

CCc1nc(-c2ncccn2)sc1C(=O)NCC(CC(C)C)c1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 5/20 0.41
MAPT P10636 3/20 0.41
GAA P10253 1/20 0.41
LMNA P02545 1/20 0.41
TP53 P04637 1/20 0.41
HPGD P15428 2/20 0.37
NPC1 O15118 1/20 0.37
CTSL P07711 1/20 0.35
CTSK P43235 1/20 0.35
KMT2A Q03164 3/20 0.34
KDM4E B2RXH2 2/20 0.34
ALDH1A1 P00352 2/20 0.34
MEN1 O00255 2/20 0.34
SCD O00767 1/20 0.34
POLB P06746 1/20 0.33
MTNR1A P48039 1/20 0.33
MTNR1B P49286 1/20 0.33

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
SCHEMBL3744593 0.92 P2RX7 (0.42) P2RX7MAPTGAALMNATP53
SCHEMBL3749704 0.91 P2RX7 (0.47) P2RX7MAPTGAALMNATP53
SCHEMBL3751882 0.91 P2RX7 (0.43) P2RX7MAPTGAALMNATP53
SCHEMBL3749004 0.89 P2RX7 (0.44) P2RX7MAPTGAANPC1KMT2A
SCHEMBL3743404 0.87 P2RX7 (0.45) P2RX7MAPTLMNATP53NPC1
SCHEMBL3740547 0.85 P2RX7 (0.42) P2RX7
SCHEMBL3753619 0.80 P2RX7 (0.48) P2RX7MAPTGAA
SCHEMBL3742906 0.78 ALDH1A1 (0.45) LMNATP53HPGDKMT2AKDM4E
SCHEMBL3749715 0.78 ALDH1A1 (0.45) LMNATP53HPGDKMT2AKDM4E
SCHEMBL3741852 0.77 NPC1 (0.48) P2RX7MAPTGAANPC1KMT2A

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 12 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
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 P2RX7 268/4885MAPT 4086/4885GAA 1334/4885
US-20100292236-A1 5-Membered Heterocyclic Amides And Related Compounds GPR35, HCAR2, HCAR1 P2RX7 268/4885MAPT 4086/4885GAA 1334/4885

“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.