SCHEMBL3743496

SCHEMBL3743496

Cc1nc(-c2cccnc2)sc1C(=O)NCC1(c2ccc(Cl)cc2)CCOCC1

nearest known ligand 0.59

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 4/20 0.59
CYP3A4 P08684 4/20 0.59
CYP2C19 P33261 3/20 0.59
MEN1 O00255 2/20 0.59
KMT2A Q03164 2/20 0.59
CYP2D6 P10635 1/20 0.59
CYP2C9 P11712 1/20 0.59
P2RX7 Q99572 12/20 0.53
LMNA P02545 1/20 0.48
KDM4E B2RXH2 1/20 0.47
MAPT P10636 1/20 0.46
GAA P10253 1/20 0.45
HDAC3 O15379 1/20 0.45
HDAC1 Q13547 1/20 0.45

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
SCHEMBL3756042 0.91 CYP1A2 (0.61) CYP1A2CYP3A4CYP2C19MEN1KMT2A
SCHEMBL3744958 0.84 CYP1A2 (0.58) CYP1A2CYP3A4CYP2C19MEN1KMT2A
SCHEMBL13043146 0.82 CYP1A2 (0.56) CYP1A2CYP3A4CYP2C19MEN1KMT2A
SCHEMBL3745116 0.82 CYP1A2 (0.60) CYP1A2CYP3A4CYP2C19MEN1KMT2A
SCHEMBL3742923 0.82 CYP1A2 (0.55) CYP1A2CYP3A4CYP2C19MEN1KMT2A
SCHEMBL3742209 0.81 CYP1A2 (0.56) CYP1A2CYP3A4CYP2C19MEN1KMT2A
SCHEMBL3748108 0.80 MEN1 (0.63) CYP1A2CYP3A4CYP2C19MEN1KMT2A
SCHEMBL3748137 0.80 CYP1A2 (0.51) CYP1A2CYP3A4CYP2C19MEN1KMT2A
SCHEMBL12725874 0.78 CYP1A2 (0.59) CYP1A2CYP3A4CYP2C19MEN1KMT2A
SCHEMBL11394548 0.76 CYP1A2 (0.79) 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.