SCHEMBL31070046

SCHEMBL31070046

O=C1C(=Cc2ccccn2)CSCC1=Cc1ccccn1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPK1 P28482 5/20 1.00
▸ IKBKB O14920 5/20 1.00
▸ PRKAG1 P54619 5/20 1.00
▸ PRKAA1 Q13131 5/20 1.00
▸ NEK1 Q96PY6 5/20 1.00
▸ PRKAB1 Q9Y478 5/20 1.00
▸ RAF1 P04049 3/20 1.00
▸ RPS6KB1 P23443 3/20 1.00
▸ AKT1 P31749 3/20 1.00
▸ AKT2 P31751 3/20 1.00
▸ KDR P35968 3/20 1.00
▸ MAPKAPK2 P49137 3/20 1.00
▸ MAP2K1 Q02750 3/20 1.00
▸ PRDX1 Q06830 1/20 0.68
▸ MAPK14 Q16539 1/20 0.68
▸ MAPT P10636 7/20 0.62
▸ SMN1; SMN2 Q16637 5/20 0.62
▸ NPC1 O15118 5/20 0.62
▸ RAB9A P51151 5/20 0.62
▸ ALDH1A1 P00352 4/20 0.62

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
SCHEMBL10062873 1.00 MAPK1 (1.00) MAPK1IKBKBPRKAG1PRKAA1NEK1
SCHEMBL29794510 0.81 IKBKB (1.00) MAPK1IKBKBPRKAG1PRKAA1NEK1
SCHEMBL21460534 0.81 IKBKB (1.00) MAPK1IKBKBPRKAG1PRKAA1NEK1
SCHEMBL21460535 0.81 IKBKB (1.00) MAPK1IKBKBPRKAG1PRKAA1NEK1
SCHEMBL12948680 0.81 MAPK1 (0.70) MAPK1IKBKBPRKAG1PRKAA1NEK1
SCHEMBL8106620 0.81 IKBKB (1.00) MAPK1IKBKBPRKAG1PRKAA1NEK1
SCHEMBL17899536 0.79 IKBKB (0.68) MAPK1IKBKBPRKAG1PRKAA1NEK1
SCHEMBL17899485 0.77 MAPT (1.00) MAPK1IKBKBPRKAG1PRKAA1NEK1
SCHEMBL8120726 0.77 IKBKB (1.00) MAPK1IKBKBPRKAG1PRKAA1NEK1
SCHEMBL29437157 0.77 IKBKB (1.00) MAPK1IKBKBPRKAG1PRKAA1NEK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12602749-B2 Parameter optimizing method of neural network and computing apparatus GENESYS LOGIC, INC. (TW) 2026-04-14 — — US disclosed
CN-118607578-A Parameter optimization method and computing device of neural network 创惟科技股份有限公司 2024-09-06 — — CN disclosed
US-20240296520-A1 PARAMETER OPTIMIZING METHOD OF NEURAL NETWORK AND COMPUTING APPARATUS GENESYS LOGIC, INC. (TW) 2024-09-05 — — US 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-12602749-B2 Parameter optimizing method of neural network and computing apparatus NCDN, CACNG2, CACNG6 MAPK1 4038/4885IKBKB 1269/4885PRKAG1 1937/4885

“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.

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