SCHEMBL3745008

SCHEMBL3745008

CCc1nc(-c2ncccn2)sc1C(=O)NC(CO)Cc1ccc(Cl)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 2/20 0.49
PRKACA P17612 2/20 0.49
IRAK1 P51617 2/20 0.49
PRKX P51817 2/20 0.49
ROCK1 Q13464 2/20 0.49
PRKG1 Q13976 2/20 0.49
PKN2 Q16513 2/20 0.49
CLK4 Q9HAZ1 2/20 0.49
RPS6KB1 P23443 1/20 0.49
LIMK1 P53667 1/20 0.49
PRKG2 Q13237 1/20 0.49
HIPK4 Q8NE63 1/20 0.49
AURKB Q96GD4 1/20 0.49
CSNK1G1 Q9HCP0 1/20 0.49
EGFR P00533 2/20 0.42
RPS6KA5 O75582 1/20 0.39
RPS6KA4 O75676 1/20 0.39
MAPK1 P28482 1/20 0.39
GSK3A P49840 1/20 0.39
GSK3B P49841 1/20 0.39

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
SCHEMBL3751929 0.91 ROCK2 (0.48) ROCK2PRKACAIRAK1PRKXROCK1
SCHEMBL3748773 0.81 EGLN1 (0.47) P2RX7KMT2ANPSR1
SCHEMBL3743362 0.81 TLR8 (0.37) CNR1
SCHEMBL3746386 0.76 CNR2 (0.35) P2RX7GAAKDM4ECNR1
SCHEMBL3753619 0.74 P2RX7 (0.48) P2RX7AKT3XDHGAAMAPT
SCHEMBL3749704 0.73 P2RX7 (0.47) P2RX7AKT3XDHGAAMAPT
SCHEMBL3749715 0.73 ALDH1A1 (0.45) MAPK1KDM4EKMT2ANPSR1
SCHEMBL3742906 0.73 ALDH1A1 (0.45) MAPK1KDM4EKMT2ANPSR1
SCHEMBL3743964 0.73 PTGDR2 (0.45) MAPTKDM4EKMT2ACNR1
SCHEMBL3736884 0.72 TSHR (0.44) ROCK2ROCK1MAPK1P2RX7MAPT

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 ROCK2 4627/4885PRKACA 2641/4885IRAK1 882/4885
US-20100292236-A1 5-Membered Heterocyclic Amides And Related Compounds GPR35, HCAR2, HCAR1 ROCK2 4627/4885PRKACA 2641/4885IRAK1 882/4885

“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.