SCHEMBL574082

SCHEMBL574082

Cn1nc(C2CC2)cc1N

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.45
LMNA P02545 1/20 0.45
TP53 P04637 1/20 0.45
PKM P14618 1/20 0.45
RAB9A P51151 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
MPO P05164 2/20 0.39
HRH4 Q9H3N8 7/20 0.38
RET P07949 1/20 0.35
ADORA2B P29275 1/20 0.33
PSMB8 P28062 1/20 0.33
PSMB9 P28065 1/20 0.33
PSMB5 P28074 1/20 0.33
SRC P12931 1/20 0.32
HRH3 Q9Y5N1 1/20 0.32
BRD4 O60885 1/20 0.32
KCNT1 Q5JUK3 1/20 0.32
YTHDF2 Q9Y5A9 1/20 0.32
NOS3 P29474 1/20 0.31
NOS1 P29475 1/20 0.31

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
SCHEMBL5223113 0.92 NPC1 (0.50) NPC1LMNATP53PKMRAB9A
SCHEMBL4432408 0.92 NPC1 (0.54) NPC1LMNATP53PKMRAB9A
SCHEMBL7278970 0.90 NPC1 (0.53) NPC1LMNATP53PKMRAB9A
SCHEMBL21847667 0.87 LRRK2 (0.40) NPC1LMNATP53PKMRAB9A
SCHEMBL11009050 0.81 NPC1 (0.35) NPC1LMNATP53PKMRAB9A
SCHEMBL24007635 0.77 MPO (0.36) NPC1LMNATP53PKMRAB9A
SCHEMBL11793035 0.77 PLAT (0.37) NPC1LMNATP53PKMRAB9A
SCHEMBL12506496 0.77 HSD11B1 (0.37) NPC1LMNARAB9ASMN1; SMN2MPO
SCHEMBL25408383 0.76 RET (0.38) NPC1LMNATP53PKMRAB9A
SCHEMBL23284465 0.75 MPO (0.34) NPC1LMNATP53PKMRAB9A

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 305 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040110778-A1 Heterocyclic compounds as ligands of the GABAA receptor YOHANNES DANIEL (US) 2004-06-10 US claimed
EP-1325006-A2 HETEROCYCLIC COMPOUNDS AS LIGANDS OF THE GABA A? RECEPTOR NEUROGEN CORPORATION (US) 2003-07-09 EP claimed
US-20030105081-A1 Heterocyclic compounds as ligands of the GABAA receptor PFIZER INC 2003-06-05 US claimed
WO-2002012442-A2 HETEROCYCLIC COMPOUNDS AS LIGANDS OF THE GABAA RECEPTOR NEUROGEN CORPORATION (US) 2002-02-14 WO claimed
EP-3898646-B1 3.ALPHA.-HYDROXY-17.BETA.-AMIDE NEUROACTIVE STEROIDS AND COMPOSITIONS THEREOF SAGE THERAPEUTICS LLC (US) 2026-02-18 EP disclosed
US-12459901-B2 Host-targeted pan-respiratory antiviral small molecule therapeutics PROSETTA BIOSCIENCES, INC. (US) 2025-11-04 US disclosed
WO-2025215153-A1 PRMT5 INHIBITORS Ryvu Therapeutics S.A. (PL) 2025-10-16 WO disclosed
US-12312339-B2 Polo like kinase 4 inhibitors ORIC PHARMACEUTICALS, INC. (US) 2025-05-27 US disclosed
EP-4313293-B1 TETRAHYDROTHIENO PYRIDINE DERIVATIVES AS DDRS INHIBITORS CHIESI FARM SPA (IT) 2025-05-07 EP disclosed
EP-4506349-A2 TETRAHYDROTHIENO PYRIDINE DERIVATIVES AS DDRS INHIBITORS Chiesi Farmaceutici S.p.A. (IT) 2025-02-12 EP disclosed
US-20240391936-A1 TETRAHYDROTHIENO PYRIDINE DERIVATIVES AS DDRS INHIBITORS CHIESI FARMACEUTICI S.P.A. (IT) 2024-11-28 US disclosed
US-20240270722-A1 POLO LIKE KINASE 4 INHIBITORS ORIC PHARMACEUTICALS, INC. 2024-08-15 US disclosed
US-6365609-B1 MODULATORS FOR ATP-REGULATED POTASSIUM CHANNELS; TREATING DIABETES OR HYPERINSULINEMIA NOVO NORDISK A/S (DK) 2002-04-02 US disclosed
US-6362205-B2 FOR TREATING CENTRAL NERVOUS SYSTEM DISORDERS, CARDIOVASCULAR SYSTEM DISORDERS, PULMONARY SYSTEM DISORDERS, GASTROINTESTINAL SYSTEM DISORDERS, AND ENDOCRINOLOGIC SYSTEM DISORDERS NOVO NORDISK A/S (DK) 2002-03-26 US disclosed
WO-2002000661-A1 PYRROLO[2,3-d]PYRIMIDINE COMPOUNDS AS IMMUNOSUPPRESSIVE AGENTS PFIZER PRODUCTS INC. (US) 2002-01-03 WO disclosed
US-20010056188-A1 Substituted 3,3-diamino-2-propenenitriles, their preparation and use HANSEN JOHN BONDO (DK) 2001-12-27 US disclosed
US-20010027195-A1 Indeno [1,2-c]pyrazol-4-ones and their uses DUPONT PHARMACEUTICALS COMPANY 2001-10-04 US disclosed
US-20010025111-A1 Substituted 3,3-diamino-2-propenenitriles, their preparation and use HANSEN JOHN BONDO (DK) 2001-09-27 US disclosed
EP-1124794-A1 SUBSTITUTED 3,3-DIAMINO-2-PROPENENITRILES, THEIR PREPARATION AND USE NOVO NORDISK A/S (DK) 2001-08-22 EP disclosed
WO-2000027805-A1 SUBSTITUTED 3,3-DIAMINO-2-PROPENENITRILES, THEIR PREPARATION AND USE NOVO NORDISK A/S (DK) 2000-05-18 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 (9 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-20010027195-A1 Indeno [1,2-c]pyrazol-4-ones and their uses CDK1, CCNA1, CDK19 NPC1 3502/4885LMNA 2314/4885TP53 141/4885
US-20240391936-A1 TETRAHYDROTHIENO PYRIDINE DERIVATIVES AS DDRS INHIBITORS DDR1, DDR2, DDRGK1 NPC1 4073/4885LMNA 1580/4885TP53 588/4885
US-20030105081-A1 Heterocyclic compounds as ligands of the GABAA receptor GABRB1, GABRP, GABRA1 NPC1 1561/4885LMNA 3137/4885TP53 4736/4885
US-20010056188-A1 Substituted 3,3-diamino-2-propenenitriles, their preparation and use TNNI3, PCCA, NPR3 NPC1 3348/4885LMNA 101/4885TP53 4181/4885
US-20040110778-A1 Heterocyclic compounds as ligands of the GABAA receptor GABRB1, GABRP, GABRA1 NPC1 1561/4885LMNA 3137/4885TP53 4736/4885
US-20010025111-A1 Substituted 3,3-diamino-2-propenenitriles, their preparation and use NPR3, NPR1, PKD1 NPC1 2952/4885LMNA 195/4885TP53 4305/4885
US-12312339-B2 Polo like kinase 4 inhibitors PLK4, PLK2, PLK3 NPC1 1806/4885LMNA 2193/4885TP53 273/4885
US-12459901-B2 Host-targeted pan-respiratory antiviral small molecule therapeutics MAVS, SARS1, ZC3HAV1 NPC1 277/4885LMNA 2763/4885TP53 1921/4885
US-20240270722-A1 POLO LIKE KINASE 4 INHIBITORS PLK4, PLK2, PLK3 NPC1 1764/4885LMNA 2199/4885TP53 270/4885

“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.