SCHEMBL348900

SCHEMBL348900

CN(C)c1cccc(CN)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.48
PNMT P11086 1/20 0.48
ENPP2 Q13822 1/20 0.48
TSHR P16473 1/20 0.48
LOXL2 Q9Y4K0 3/20 0.48
NOS1 P29475 6/20 0.45
HDAC1 Q13547 1/20 0.45
HDAC6 Q9UBN7 1/20 0.45
NOS2 P35228 4/20 0.44
KMT2A Q03164 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
NOS3 P29474 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
CYP3A4 P08684 1/20 0.43
NFKB1 P19838 1/20 0.43
KLKB1 P03952 1/20 0.42
APP P05067 1/20 0.41
GAA P10253 1/20 0.41
ALOX15 P16050 1/20 0.41
PRMT6 Q96LA8 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
SCHEMBL31662833 1.00 ALDH1A1 (0.48) ALDH1A1PNMTENPP2TSHRLOXL2
Hydrochloric Acid SCHEMBL25180658 0.98 ALDH1A1 (0.47) ALDH1A1PNMTENPP2TSHRLOXL2
SCHEMBL31318817 0.83 TAAR1 (0.57) ALDH1A1TSHRLOXL2NOS1NOS2
SCHEMBL6827042 0.83 TAAR1 (0.57) ALDH1A1TSHRLOXL2NOS1NOS2
Tert-Butyl Formate SCHEMBL27816894 0.82 AOC3 (0.39) ALDH1A1PNMTENPP2TSHRLOXL2
SCHEMBL11861528 0.82 HDAC1 (0.60) ALDH1A1TSHRNOS1HDAC1HDAC6
SCHEMBL21649568 0.82 PNMT (0.44) ALDH1A1PNMTENPP2LOXL2NOS1
SCHEMBL2568377 0.80 TAAR1 (0.55) ALDH1A1TSHR
SCHEMBL129446 0.80 SIGMAR1 (0.51) ALDH1A1TSHRHDAC1HDAC6KMT2A
SCHEMBL30966769 0.80 SIGMAR1 (0.51) ALDH1A1TSHRHDAC1HDAC6KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3037412-B1 INDOLE AMIDE COMPOUND AS INHIBITOR OF NECROSIS LG CHEMICAL LTD (KR) 2020-09-30 EP claimed
WO-2012154680-A2 MODIFIED AND DERIVATIZED β-GLUCAN COMPOUNDS, COMPOSITIONS, AND METHODS BIOTHERA, INC. (US) 2012-11-15 WO claimed
US-12024506-B2 Compounds THE INSTITUTE OF CANCER RESEARCH: ROYAL CANCER HOSPITAL (GB) 2024-07-02 US disclosed
CN-114539223-B Aryl-containing aza-seven-membered ring compound and preparation method and application thereof 中国药科大学 2024-04-09 CN disclosed
US-11806337-B2 Small molecule activators of nicotinamide phosphoribosyltransferase (NAMPT) and uses thereof Sanford Burnham Prebys Medical Discovery Institute (US) 2023-11-07 US disclosed
US-11806337-B2 Small molecule activators of nicotinamide phosphoribosyltransferase (NAMPT) and uses thereof Sanford Burnham Prebys Medical Discovery Institute (US) 2023-11-07 US disclosed
EP-3452477-B1 ADENINE DERIVATIVES AS PROTEIN KINASE INHIBITORS B C I PHARMA (BE) 2023-09-13 EP disclosed
WO-2023078451-A1 COMPOUND USED AS CDK7 KINASE INHIBITOR AND USE THEREOF 浙江同源康医药股份有限公司 2023-05-11 WO disclosed
EP-3743421-B1 COMPOUNDS UNIV OXFORD INNOVATION LTD (GB) 2023-03-29 EP disclosed
CN-114539223-A Aryl-containing aza-heptacyclic compound and preparation method and application thereof 中国药科大学 2022-05-27 CN disclosed
US-11236093-B2 Adenine derivatives as protein kinase inhibitors B.C.I. PHARMA (BE) 2022-02-01 US disclosed
US-6084095-A INCLUDING 6-AMINO-4-(3-BROMOANILINO)PYRIDO(3,2-D)PYRIMIDINE; 4-(3-BROMOANILINO)-6-METHYLAMINOPYRIDO (3,2-D)PYRIMIDINE; AND 4-(3-BROMOANILINO)-6-METHYLAMINOPYRIDO(3,2-D)PYRIMIDINE; USEFUL IN TREATING PROLIFERATIVE DISEASES SUCH AS CANCER WARNER-LAMBERT COMPANY (US) 2000-07-04 US disclosed
EP-0882715-A1 NOVEL N-(UNSUBSTITUTED OR SUBSTITUTED)-4-SUBSTITUTED-6-(UNSUBSTITUTED OR SUBSTITUTED)PHENOXY-2-PYRIDINECARBOXAMIDES OR THIOCARBOXAMIDES, PROCESSES FOR PRODUCING THE SAME, AND HERBICIDES KUREHA KAGAKU KOGYO KABUSHIKI KAISHA (JP) 1998-12-09 EP disclosed
US-5654307-A ANTICARCINOGENIC AGENTS, ANTIARTHRITIC AGENT, SKIN DISORDERS WARNER-LAMBERT COMPANY (US) 1997-08-05 US disclosed
CN-1139383-A Bicyclic compounds capable of inhibiting tyrosine kinases of the epidermal growth factor receptor family WARNER LAMBERT CO (US) 1997-01-01 CN disclosed
EP-0742717-A1 BICYCLIC COMPOUNDS CAPABLE OF INHIBITING TYROSINE KINASES OF THE EPIDERMAL GROWTH FACTOR RECEPTOR FAMILY WARNER-LAMBERT COMPANY (US) 1996-11-20 EP disclosed
WO-1995019774-A1 BICYCLIC COMPOUNDS CAPABLE OF INHIBITING TYROSINE KINASES OF THE EPIDERMAL GROWTH FACTOR RECEPTOR FAMILY WARNER-LAMBERT COMPANY (US) 1995-07-27 WO disclosed
EP-0355098-A1 NOVEL SULFONAMIDES, A PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THESE NEW SULFONAMIDES HUHTAMÄKI OY (FI) 1990-02-28 EP disclosed
WO-1988007991-A1 NOVEL SULFONAMIDES, A PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THESE NEW SULFONAMIDES Huhtamäki Oy (FI) 1988-10-20 WO disclosed
US-4686285-A DYEING POLYMERS, NATURAL FIBERS, LEATHER OR PAPER SANDOZ LTD. (CH) 1987-08-11 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 (3 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-11236093-B2 Adenine derivatives as protein kinase inhibitors ADK, TNNI3K, TNK2 ALDH1A1 3196/4885PNMT 1739/4885ENPP2 524/4885
US-11806337-B2 Small molecule activators of nicotinamide phosphoribosyltransferase (NAMPT) and uses thereof NAMPT, NAPRT, NNT ALDH1A1 1943/4885PNMT 364/4885ENPP2 680/4885
US-12024506-B2 Compounds KRAS, NRAS, HRAS ALDH1A1 3190/4885PNMT 4446/4885ENPP2 1386/4885

“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.