Sugi Predict

Sugi Predict / Compounds / SCHEMBL3645958

SCHEMBL3645958

SCHEMBL3645958

O=C(O)c1cn(-c2ncccn2)c2cccc(Cl)c12

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ RORC P51449 10/20 0.43
▸ CYP3A4 P08684 3/20 0.43
▸ LMNA P02545 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ DHODH Q02127 1/20 0.41
▸ CYP2C9 P11712 2/20 0.40
▸ TSHR P16473 2/20 0.40
▸ MEN1 O00255 2/20 0.40
▸ KMT2A Q03164 2/20 0.40
▸ ALDH1A1 P00352 2/20 0.40
▸ KDM4E B2RXH2 1/20 0.40
▸ HSD17B10 Q99714 1/20 0.40
▸ RXFP1 Q9HBX9 1/20 0.40
▸ HAVCR2 Q8TDQ0 1/20 0.40
▸ CYP1A2 P05177 1/20 0.39
▸ CYP2C19 P33261 1/20 0.39
▸ PKM P14618 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
SCHEMBL13945457 0.87 PARP1 (0.41) RORCCYP3A4SMN1; SMN2MEN1KMT2A
SCHEMBL3684730 0.84 HTT (0.38) RORCCYP3A4CYP2C9MEN1KMT2A
SCHEMBL4527785 0.82 LMNA (0.37) RORCCYP3A4LMNASMN1; SMN2DHODH
SCHEMBL13706801 0.81 MEN1 (0.34) RORCCYP3A4CYP2C9MEN1KMT2A
SCHEMBL3690474 0.80 LMNA (0.41) RORCCYP3A4LMNASMN1; SMN2DHODH
SCHEMBL13706724 0.77 POLB (0.57) SMN1; SMN2TSHRALDH1A1HSD17B10
SCHEMBL3640542 0.76 HSD11B1 (0.45) MEN1KMT2A
SCHEMBL11885598 0.76 P2RX7 (0.46) KMT2ARXFP1
SCHEMBL3640539 0.76 CNR2 (0.48) TSHRALDH1A1KDM4EHSD17B10
SCHEMBL3678410 0.76 HTR3A (0.51) RORCCYP3A4LMNACYP2C9ALDH1A1

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-20120190680-A1 Heteroaryl Amide Analogues H. LUNDBECK A/S (DK) 2012-07-26 — — US claimed
EP-2185560-A1 HETEROARYL AMIDE ANALOGUES H. Lundbeck A/S (DK) 2010-05-19 — — EP claimed
WO-2009108551-A2 HETEROARYL AMIDE ANALOGUES H. LUNDBECK A/S (DK) 2009-09-03 — — WO claimed
WO-2009023623-A1 HETEROARYL AMIDE ANALOGUES H, LUNDBECK A/S (DK) 2009-02-19 — — WO claimed
US-20120190680-A1 Heteroaryl Amide Analogues H. LUNDBECK A/S (DK) 2012-07-26 — — US disclosed
US-20120190680-A1 Heteroaryl Amide Analogues H. LUNDBECK A/S (DK) 2012-07-26 — — US disclosed
US-20120190680-A1 Heteroaryl Amide Analogues H. LUNDBECK A/S (DK) 2012-07-26 — — US disclosed
EP-2185560-A1 HETEROARYL AMIDE ANALOGUES H. Lundbeck A/S (DK) 2010-05-19 — — EP disclosed
WO-2009108551-A2 HETEROARYL AMIDE ANALOGUES H. LUNDBECK A/S (DK) 2009-09-03 — — WO disclosed
WO-2009108551-A2 HETEROARYL AMIDE ANALOGUES H. LUNDBECK A/S (DK) 2009-09-03 — — WO disclosed
WO-2009023623-A1 HETEROARYL AMIDE ANALOGUES H, LUNDBECK A/S (DK) 2009-02-19 — — WO disclosed
WO-2009023623-A1 HETEROARYL AMIDE ANALOGUES H, LUNDBECK A/S (DK) 2009-02-19 — — 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 (1 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-20120190680-A1 Heteroaryl Amide Analogues P2RX3, P2RX2, ADORA2A RORC 635/4885CYP3A4 1591/4885LMNA 4100/4885

“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.