Sugi Predict

Sugi Predict / Compounds / SCHEMBL965562

SCHEMBL965562

SCHEMBL965562

Cc1cc2ccncc2s1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP2A6 P11509 6/20 0.55
▸ CHEK1 O14757 1/20 0.51
▸ AURKA O14965 1/20 0.51
▸ DAPK3 O43293 1/20 0.51
▸ PRKD3 O94806 1/20 0.51
▸ MAP4K4 O95819 1/20 0.51
▸ PAK4 O96013 1/20 0.51
▸ ABL1 P00519 1/20 0.51
▸ RET P07949 1/20 0.51
▸ PIM1 P11309 1/20 0.51
▸ FGFR1 P11362 1/20 0.51
▸ PRKACA P17612 1/20 0.51
▸ FLT1 P17948 1/20 0.51
▸ LTK P29376 1/20 0.51
▸ GRK5 P34947 1/20 0.51
▸ KDR P35968 1/20 0.51
▸ MAPK8 P45983 1/20 0.51
▸ CSNK1A1 P48729 1/20 0.51
▸ CDK8 P49336 1/20 0.51
▸ CLK2 P49760 1/20 0.51

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
SCHEMBL30711406 1.00 CYP2A6 (0.55) CYP2A6CHEK1AURKADAPK3PRKD3
SCHEMBL3483101 0.83 CYP2A6 (0.55) CYP2A6CHEK1AURKADAPK3PRKD3
SCHEMBL30744154 0.75 CYP2A6 (0.65) CYP2A6CHEK1AURKADAPK3PRKD3
SCHEMBL14764657 0.75 CYP2A6 (0.55) CYP2A6CHEK1AURKADAPK3PRKD3
SCHEMBL5550381 0.75 CYP2A6 (0.65) CYP2A6CHEK1AURKADAPK3PRKD3
SCHEMBL16023607 0.75 CYP2A6 (0.55) CYP2A6CHEK1AURKADAPK3PRKD3
SCHEMBL30457382 0.75 CYP2A6 (0.55) CYP2A6CHEK1AURKADAPK3PRKD3
SCHEMBL3681417 0.75 CYP2A6 (0.55) CYP2A6CHEK1AURKADAPK3PRKD3
SCHEMBL13962134 0.75 CYP2A6 (0.50) CYP2A6CHEK1AURKADAPK3PRKD3
SCHEMBL1612382 0.75 CYP2A6 (0.50) CYP2A6CHEK1AURKADAPK3PRKD3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023225244-A1 HETEROCYCLIC COMPOUNDS FOR TREATING HUNTINGTON'S DISEASE BIOGEN MA INC. (US) 2023-11-23 — — WO disclosed
US-20230346753-A1 NOVEL COMPOUNDS AND COMPOSITIONS FOR THE INHIBITION OF NAMPT VALO HEALTH, INC. 2023-11-02 — — US disclosed
US-20230346753-A1 NOVEL COMPOUNDS AND COMPOSITIONS FOR THE INHIBITION OF NAMPT VALO HEALTH, INC. 2023-11-02 — — US disclosed
WO-2021188907-A1 PYRIDINESULFONAMIDE DERIVATIVES AS TRAP1 MODULATORS AND USES THEREOF AMATHUS THERAPEUTICS, INC. (US) 2021-09-23 — — WO disclosed
WO-2021113698-A1 MASP-2 INHIBITORS AND METHODS OF USE OMEROS CORPORATION (US) 2021-06-10 — — WO disclosed
WO-2021113690-A1 MASP-2 INHIBITORS AND METHODS OF USE OMEROS CORPORATION (US) 2021-06-10 — — WO disclosed
US-20200223845-A1 NOVEL VIRAL REPLICATION INHIBITORS KATHOLIEKE UNIVERSITEIT LEUVEN (BE) 2020-07-16 — — US disclosed
US-10633378-B2 Viral replication inhibitors KATHOLIEKE UNIVERSITEIT LEUVEN, K.U. LEUVEN R&D (BE) 2020-04-28 — — US disclosed
US-20190290771-A1 SILICON BASED DRUG CONJUGATES AND METHODS OF USING SAME BLINKBIO, INC. 2019-09-26 — — US disclosed
EP-2935247-B1 PRMT5 INHIBITORS AND USES THEREOF EPIZYME INC (US) 2019-08-28 — — EP disclosed
US-20060148843-A1 Thienopyridyl compounds that inhibit vanilloid receptor subtype 1 (VR1) and uses thereof ABBVIE INC. 2006-07-06 — — US disclosed
WO-2006063178-A2 THIENOPYRIDYL COMPOUNDS THAT INHIBIT VANILLOID RECEPTOR SUBTYPE 1 (VR1) AND USES THEREOF ABBOTT LABORATORIES (US) 2006-06-15 — — WO disclosed
EP-0847992-B1 Benzamide derivatives, useful as cell differentiation inducers SCHERING AG (DE) 2004-06-23 — — EP disclosed
EP-0327239-B1 1-carbacephalosporin antibiotics LILLY CO ELI (US) 1994-06-22 — — EP disclosed
US-5011938-A Antimicrobials ELI LILLY AND COMPANY (US) 1991-04-30 — — US disclosed
US-4940718-A BACTERICIDES ELI LILLY AND COMPANY (US) 1990-07-10 — — US disclosed
US-4902707-A Bicyclic pyrazolidinones, compositions and use ELI LILLY AND COMPANY (US) 1990-02-20 — — US disclosed
EP-0327239-A1 1-carbacephalosporin antibiotics ELI LILLY AND COMPANY (US) 1989-08-09 — — EP disclosed
EP-0203722-A1 Bicyclic pyrazolidinones ELI LILLY AND COMPANY (US) 1986-12-03 — — EP disclosed
EP-0202046-A1 7-Substituted bicyclic pyrazolidinones ELI LILLY AND COMPANY (US) 1986-11-20 — — EP 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 (5 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-20060148843-A1 Thienopyridyl compounds that inhibit vanilloid receptor subtype 1 (VR1) and uses thereof TRPV1, GPR55, P2RX6 CYP2A6 358/4885CHEK1 4437/4885AURKA 4708/4885
US-20190290771-A1 SILICON BASED DRUG CONJUGATES AND METHODS OF USING SAME CD44, MSN, AS3MT CYP2A6 2675/4885CHEK1 628/4885AURKA 720/4885
US-10633378-B2 Viral replication inhibitors EIF2AK2, MAVS, ZC3HAV1 CYP2A6 3717/4885CHEK1 2525/4885AURKA 2589/4885
US-20200223845-A1 NOVEL VIRAL REPLICATION INHIBITORS EIF2AK2, MAVS, IRF3 CYP2A6 3972/4885CHEK1 2314/4885AURKA 2841/4885
US-20230346753-A1 NOVEL COMPOUNDS AND COMPOSITIONS FOR THE INHIBITION OF NAMPT NAMPT, NNMT, NQO1 CYP2A6 1646/4885CHEK1 3110/4885AURKA 3001/4885

“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.