SCHEMBL3666496

SCHEMBL3666496

O=C(CC12CC3CC(CC(C3)C1)C2)Nc1cn(-c2ncccn2)nc1C(F)(F)F

nearest known ligand 0.50

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 9/20 0.46
MEN1 O00255 1/20 0.45
USP2 O75604 1/20 0.45
KMT2A Q03164 1/20 0.45
LMNA P02545 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40

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
SCHEMBL3736592 0.77 MEN1 (0.50) P2RX7MEN1KMT2A
SCHEMBL3748718 0.76 P2RX7 (0.47) P2RX7MEN1KMT2A
SCHEMBL3738940 0.70 DGAT1 (0.44)
SCHEMBL3639030 0.69 P2RX7 (0.56) P2RX7MEN1USP2KMT2A
SCHEMBL3754178 0.68 HSD11B1 (0.47) LMNASMN1; SMN2
SCHEMBL3738870 0.67 TP53 (0.43) P2RX7MEN1KMT2A
SCHEMBL4509232 0.67 P2RX7 (0.79) P2RX7LMNASMN1; SMN2
SCHEMBL3743160 0.66 KDM4E (0.43) P2RX7MEN1KMT2A
SCHEMBL1791915 0.65 P2RX7 (0.48) P2RX7MEN1KMT2ALMNASMN1; SMN2
SCHEMBL30795515 0.65 P2RX7 (0.48) P2RX7MEN1KMT2ALMNASMN1; SMN2

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 11 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
EP-2178865-A2 5-MEMBERED HETEROCYCLIC AMIDES AND RELATED COMPOUNDS Lundbeck, H., A/S (DK) 2010-04-28 EP 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 268/4885MEN1 4162/4885USP2 4321/4885
US-20100292236-A1 5-Membered Heterocyclic Amides And Related Compounds GPR35, HCAR2, HCAR1 P2RX7 268/4885MEN1 4162/4885USP2 4321/4885

“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.