SCHEMBL31161333

SCHEMBL31161333

COc1ccc(CN(C)c2cc(Cl)nn3c(C(=O)N[C@@H]4CC[C@H]4OC)cnc23)cc1

nearest known ligand 0.35

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ SSTR3 P32745 1/20 0.35
▸ PDE1B Q01064 5/20 0.35
▸ TYK2 P29597 7/20 0.34
▸ F10 P00742 1/20 0.34
▸ NR3C1 P04150 1/20 0.34
▸ LMNA P02545 1/20 0.34
▸ MEN1 O00255 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ NPSR1 Q6W5P4 1/20 0.33
▸ MCHR1 Q99705 1/20 0.33
▸ CNR1 P21554 1/20 0.33
▸ CNR2 P34972 1/20 0.33
▸ NTRK1 P04629 1/20 0.33

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
SCHEMBL31161766 0.93 KMT2A (0.35) SSTR3PDE1BTYK2F10NR3C1
SCHEMBL31161788 0.90 TYK2 (0.37) SSTR3PDE1BTYK2F10CNR1
SCHEMBL16794653 0.89 CNR2 (0.41) TYK2F10ALDH1A1MCHR1CNR1
SCHEMBL16794640 0.89 TYK2 (0.40) SSTR3PDE1BTYK2F10NR3C1
SCHEMBL16794641 0.89 TYK2 (0.40) SSTR3PDE1BTYK2F10NR3C1
SCHEMBL16812488 0.89 TYK2 (0.40) SSTR3PDE1BTYK2F10NR3C1
SCHEMBL26101957 0.89 TYK2 (0.40) SSTR3PDE1BTYK2F10NR3C1
SCHEMBL16794701 0.88 YAP1 (0.41) PDE1BTYK2F10LMNAMEN1
SCHEMBL16812491 0.88 YAP1 (0.43) F10LMNAMEN1ALDH1A1KMT2A
SCHEMBL16812485 0.85 HPGDS (0.41) PDE1BTYK2F10NR3C1MEN1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20260125400-A1 TYK2 DEGRADERS AND USES THEREOF KYMERA THERAPEUTICS INC (US) 2026-05-07 — — US disclosed
WO-2024220937-A2 TYK2 DEGRADERS AND USES THEREOF KYMERA THERAPEUTICS, INC. (US) 2024-10-24 — — 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-20260125400-A1 TYK2 DEGRADERS AND USES THEREOF TYK2, CSNK2A1, CSNK2A2 SSTR3 2294/4885PDE1B 3074/4885TYK2 1/4885

“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.

Send feedback