SCHEMBL3748427

SCHEMBL3748427

Cc1nc(-c2cccnc2)sc1C(=O)NCC(CC(C)C)c1ccc(Cl)cc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 4/20 0.62
CYP3A4 P08684 4/20 0.62
CYP2C19 P33261 3/20 0.62
MEN1 O00255 3/20 0.62
KMT2A Q03164 3/20 0.62
CYP2D6 P10635 1/20 0.62
CYP2C9 P11712 1/20 0.62
LMNA P02545 1/20 0.50
KDM4E B2RXH2 1/20 0.49
MAPT P10636 4/20 0.48
GAA P10253 2/20 0.47
HDAC3 O15379 1/20 0.47
HDAC1 Q13547 1/20 0.47
SMN1; SMN2 Q16637 3/20 0.47
NPC1 O15118 1/20 0.45
HPGD P15428 1/20 0.45
P2RX7 Q99572 2/20 0.44
ALDH1A1 P00352 2/20 0.42
PPARD Q03181 1/20 0.41
PPARA Q07869 1/20 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
SCHEMBL3751371 0.93 CYP1A2 (0.59) CYP1A2CYP3A4CYP2C19MEN1KMT2A
SCHEMBL3744087 0.89 CYP1A2 (0.62) CYP1A2CYP3A4CYP2C19MEN1KMT2A
SCHEMBL13043142 0.89 MEN1 (0.64) CYP1A2CYP3A4CYP2C19MEN1KMT2A
SCHEMBL11393938 0.84 CYP1A2 (0.72) CYP1A2CYP3A4CYP2C19MEN1KMT2A
SCHEMBL12725826 0.83 CYP1A2 (0.70) CYP1A2CYP3A4CYP2C19MEN1KMT2A
SCHEMBL12725755 0.81 CYP1A2 (0.70) CYP1A2CYP3A4CYP2C19MEN1KMT2A
SCHEMBL3754084 0.80 MEN1 (0.52) CYP1A2CYP3A4CYP2C19MEN1KMT2A
SCHEMBL12725723 0.79 CYP1A2 (0.70) CYP1A2CYP3A4CYP2C19MEN1KMT2A
SCHEMBL11394548 0.78 CYP1A2 (0.79) CYP1A2CYP3A4CYP2C19MEN1KMT2A
SCHEMBL12725794 0.78 CYP1A2 (0.67) CYP1A2CYP3A4CYP2C19MEN1KMT2A

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 10 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
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-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 CYP1A2 810/4885CYP3A4 1191/4885CYP2C19 868/4885
US-20100292236-A1 5-Membered Heterocyclic Amides And Related Compounds GPR35, HCAR2, HCAR1 CYP1A2 810/4885CYP3A4 1191/4885CYP2C19 868/4885

“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.