SCHEMBL3746386

SCHEMBL3746386

CCc1nc(-c2ncccn2)sc1C(=O)N[C@H](CO)C(C)(C)C

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 7/20 0.35
MAPK8 P45983 1/20 0.34
F9 P00740 3/20 0.33
F7 P08709 3/20 0.33
F10 P00742 2/20 0.33
F11 P03951 2/20 0.33
PRSS1 P07477 2/20 0.33
PRSS2 P07478 2/20 0.33
PRSS3 P35030 2/20 0.33
F2 P00734 1/20 0.33
PLAU P00749 1/20 0.33
THRB P10828 1/20 0.32
P2RX7 Q99572 2/20 0.32
TRPV3 Q8NET8 1/20 0.32
KDM4E B2RXH2 1/20 0.32
GAA P10253 1/20 0.32
ZAP70 P43403 2/20 0.32
SYK P43405 2/20 0.32
PAK4 O96013 1/20 0.31
CNR1 P21554 1/20 0.31

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
SCHEMBL3743362 0.80 TLR8 (0.37) CNR2THRBCNR1
SCHEMBL3744085 0.80 P2RX7 (0.39) THRBP2RX7KDM4EGAA
SCHEMBL3751929 0.78 ROCK2 (0.48)
SCHEMBL3747362 0.77 NAMPT (0.39) P2RX7KDM4EGAA
SCHEMBL3740523 0.76 THRB (0.38) THRBKDM4EGAAZAP70SYK
SCHEMBL3749715 0.76 ALDH1A1 (0.45) KDM4E
SCHEMBL3742906 0.76 ALDH1A1 (0.45) KDM4E
SCHEMBL3745008 0.76 ROCK2 (0.49) P2RX7KDM4EGAACNR1
SCHEMBL3751397 0.76 KDM4E (0.46) KDM4EGAA
SCHEMBL26791923 0.74 TRPM8 (0.38) THRBP2RX7KDM4EGAA

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 CNR2 17/4885MAPK8 2327/4885F9 4064/4885
US-20100292236-A1 5-Membered Heterocyclic Amides And Related Compounds GPR35, HCAR2, HCAR1 CNR2 17/4885MAPK8 2327/4885F9 4064/4885

“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.