SCHEMBL2494058

SCHEMBL2494058

CNc1cc2ccccc2s1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 4/20 0.53
ADRB2 P07550 1/20 0.53
HDAC3 O15379 1/20 0.44
HDAC4 P56524 1/20 0.44
HDAC1 Q13547 1/20 0.44
HDAC7 Q8WUI4 1/20 0.44
HDAC2 Q92769 1/20 0.44
HDAC10 Q969S8 1/20 0.44
HDAC11 Q96DB2 1/20 0.44
HDAC8 Q9BY41 1/20 0.44
HDAC6 Q9UBN7 1/20 0.44
HDAC9 Q9UKV0 1/20 0.44
HDAC5 Q9UQL6 1/20 0.44
ASIC3 Q9UHC3 1/20 0.44
LOXL2 Q9Y4K0 1/20 0.44
MGLL Q99685 1/20 0.44
BCL2L1 Q07817 1/20 0.42
CA2 P00918 2/20 0.41
APP P05067 2/20 0.40
AGXT P21549 1/20 0.40

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
Hydrochloric Acid SCHEMBL15843597 0.98 CYP2A6 (0.52) CYP2A6ADRB2HDAC3HDAC4HDAC1
SCHEMBL6481877 0.82 CYP2A6 (0.47) CYP2A6ADRB2HDAC3HDAC4HDAC1
SCHEMBL11191980 0.78 CYP2A6 (0.48) CYP2A6ADRB2HDAC3HDAC4HDAC1
SCHEMBL9754305 0.78 CYP2A6 (0.44) CYP2A6ADRB2HDAC3HDAC4HDAC1
SCHEMBL6642084 0.78 CYP2A6 (0.44) CYP2A6ADRB2HDAC3HDAC4HDAC1
SCHEMBL30218103 0.78 CYP2A6 (0.48) CYP2A6ADRB2HDAC3HDAC4HDAC1
SCHEMBL28306016 0.78 CYP2A6 (0.44) CYP2A6ADRB2HDAC3HDAC4HDAC1
SCHEMBL5732542 0.78 CYP2A6 (0.49) CYP2A6ADRB2HDAC3HDAC4HDAC1
SCHEMBL18232972 0.78 CYP2A6 (0.44) CYP2A6ADRB2HDAC3HDAC4HDAC1
SCHEMBL5263311 0.78 CYP2A6 (0.49) CYP2A6ADRB2HDAC3HDAC4HDAC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1140860-B1 PYRIMIDINE COMPOUNDS ASTRAZENECA AB (SE) 2004-09-22 EP claimed
US-6593326-B1 Useful as anti-cancer agents; and processes for their manufacture and pharmaceutical compositions containing them are described. Apoptotic effect in a warm-blooded animal such as man. ASTRAZENECA AB (SE) 2003-07-15 US claimed
EP-1140860-A1 PYRIMIDINE COMPOUNDS AstraZeneca AB (SE) 2001-10-10 EP claimed
WO-2000039101-A1 PYRIMIDINE COMPOUNDS ASTRAZENECA AB (SE) 2000-07-06 WO claimed
WO-2023230179-A1 COMPOSITIONS AND METHODS FOR DETECTING AND TREATING CANCER CASE WESTERN RESERVE UNIVERSITY (US) 2023-11-30 WO disclosed
US-20230365544-A1 SMALL MOLECULE INHIBITORS OF CALCIUM CHANNEL ACTIVITY AND USES THEREOF NATIONAL INSTITUTES OF HEALTH 2023-11-16 US disclosed
WO-2021251756-A1 N-ACYLHYDRAZONE-DERIVATIVE-MARKER CONJUGATE AND PHARMACEUTICAL COMPOSITION CONTAINING SAME 한국생명공학연구원 2021-12-16 WO disclosed
US-11072585-B2 Fluorinated lysyl oxidase-like 2 inhibitors and uses thereof PHARMAKEA, INC. (US) 2021-07-27 US disclosed
EP-3795568-A1 FLUORINATED LYSYL OXIDASE-LIKE 2 INHIBITORS AND USES THEREOF Pharmakea, Inc. (US) 2021-03-24 EP disclosed
EP-3265456-B1 FLUORINATED LYSYL OXIDASE-LIKE 2 INHIBITORS AND USES THEREOF PHARMAKEA INC (US) 2020-11-18 EP disclosed
US-20200115341-A1 FLUORINATED LYSYL OXIDASE-LIKE 2 INHIBITORS AND USES THEREOF PHARMAKEA, INC. 2020-04-16 US disclosed
US-10570094-B2 Fluorinated lysyl oxidase-like 2 inhibitors and uses thereof PHARMAKEA, INC. (US) 2020-02-25 US disclosed
WO-2000039101-A1 PYRIMIDINE COMPOUNDS ASTRAZENECA AB (SE) 2000-07-06 WO disclosed
EP-0971894-A1 NICOTINAMIDE DERIVATIVES Pfizer Products Inc. (US) 2000-01-19 EP disclosed
EP-0878196-A1 KAINIC ACID NEURONOTOXICITY INHIBITORS AND PYRIDOTHIAZINE DERIVATIVES YAMANOUCHI PHARMACEUTICAL CO. LTD. (JP) 1998-11-18 EP disclosed
WO-1998045268-A1 NICOTINAMIDE DERIVATIVES PFIZER PRODUCTS INC. (US) 1998-10-15 WO disclosed
US-5051429-A For treatment of autoimmune diseases such as arthritis, lupus, antiinflammatory agents, multiple sclerosis, diabetes and viral diseases WARNER-LAMBERT CO. (US) 1991-09-24 US disclosed
US-4952693-A TREATING AUTOIMMUNE DISEASES WARNER-LAMBERT COMPANY (US) 1990-08-28 US disclosed
US-4772606-A AUTOIMMUNE DISEASES, ORGAN TRANSPLANTS WARNER-LAMBERT COMPANY (US) 1988-09-20 US disclosed
EP-0178178-A2 Purine derivatives WARNER-LAMBERT COMPANY (US) 1986-04-16 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 (4 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-10570094-B2 Fluorinated lysyl oxidase-like 2 inhibitors and uses thereof LOXL2, LOXL1, LOX CYP2A6 1230/4885ADRB2 1696/4885HDAC3 1514/4885
US-20230365544-A1 SMALL MOLECULE INHIBITORS OF CALCIUM CHANNEL ACTIVITY AND USES THEREOF CACNA1G, CACNA1I, CACNG3 CYP2A6 4634/4885ADRB2 2751/4885HDAC3 713/4885
US-20200115341-A1 FLUORINATED LYSYL OXIDASE-LIKE 2 INHIBITORS AND USES THEREOF LOXL2, LOXL1, LOX CYP2A6 1230/4885ADRB2 1696/4885HDAC3 1514/4885
US-11072585-B2 Fluorinated lysyl oxidase-like 2 inhibitors and uses thereof LOXL2, LOXL1, LOX CYP2A6 1230/4885ADRB2 1696/4885HDAC3 1514/4885

“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.