SCHEMBL4946799

SCHEMBL4946799

[NH]C(=O)CNc1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERCC1 P07992 3/20 0.47
ERCC4 Q92889 3/20 0.47
ALDH1A1 P00352 4/20 0.46
LMNA P02545 2/20 0.46
GAA P10253 2/20 0.46
PKM P14618 1/20 0.46
KDM4E B2RXH2 1/20 0.46
AKR1C3 P42330 1/20 0.46
MAPT P10636 2/20 0.45
RAB9A P51151 2/20 0.45
KMT2A Q03164 2/20 0.45
MEN1 O00255 1/20 0.45
SMN1; SMN2 Q16637 2/20 0.44
TP53 P04637 1/20 0.44
EPHX1 P07099 1/20 0.44
TSHR P16473 1/20 0.44
EPHX2 P34913 1/20 0.44
CDK9 P50750 1/20 0.44
CLK4 Q9HAZ1 1/20 0.44
NPC1 O15118 1/20 0.43

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
SCHEMBL11533215 0.85 ERCC1 (0.44) ERCC1ERCC4ALDH1A1LMNAGAA
Hydrochloric Acid SCHEMBL2006870 0.81 ABAT (0.53) ERCC1ERCC4ALDH1A1LMNAGAA
Hydrochloric Acid SCHEMBL3069393 0.81 ABAT (0.53) ERCC1ERCC4ALDH1A1LMNAGAA
Benzene SCHEMBL27714747 0.81 ABAT (0.53) ERCC1ERCC4ALDH1A1LMNAGAA
SCHEMBL7785939 0.81 ABAT (0.53) ERCC1ERCC4ALDH1A1LMNAGAA
SCHEMBL41828 0.81 ABAT (0.53) ERCC1ERCC4ALDH1A1LMNAGAA
SCHEMBL1330698 0.81 ABAT (0.53) ERCC1ERCC4ALDH1A1LMNAGAA
SCHEMBL4947342 0.80 ALDH1A1 (0.43) ERCC1ERCC4ALDH1A1GAAKDM4E
SCHEMBL2573295 0.79 ABAT (0.52) ERCC1ERCC4ALDH1A1LMNAGAA
Fluoride SCHEMBL7426005 0.79 ABAT (0.52) ERCC1ERCC4ALDH1A1LMNAGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6767906-B2 INHIBIT P34CDC2/CYCLIN BCDC13 KINASE AND PROTEIN TYROSINE KINASE PP60C-SRC AND CAN BE USED FOR TREATMENT OF HYPERPROLIFERATIVE DISEASES, FOR EXAMPLE CHEMOTHERAPY OF TUMOURS OR OSTEOPOROSIS. NOVARTIS AG (CH) 2004-07-27 US claimed
EP-1153024-B1 2-AMINO-6-ANILINO-PURINES AND THEIR USE AS MEDICAMENTS NOVARTIS AG (CH) 2004-04-28 EP claimed
EP-0874846-B1 PURINE DERIVATIVES AND PROCESSES FOR THEIR PREPARATION NOVARTIS AG (CH) 2003-04-02 EP claimed
JP-2002537300-A 2002-11-05 JP claimed
US-20020016329-A1 2-Amino-6-anilino-purines and their use as medicaments NOVARTIS AG (CH) 2002-02-07 US claimed
EP-1153024-A1 2-AMINO-6-ANILINO-PURINES AND THEIR USE AS MEDICAMENTS Novartis AG (CH) 2001-11-14 EP claimed
WO-2000049018-A1 2-AMINO-6-ANILINO-PURINES AND THEIR USE AS MEDICAMENTS NOVARTIS AG (CH) 2000-08-24 WO claimed
US-5037975-A Antibiotics ELI LILLY AND COMPANY (US) 1991-08-06 US claimed
US-4958018-A REACTING A 3-HALOMETHYL-3-CEPHEM WITH A LEAD REDUCING AGENT OTSUKA KAGAKU KABUSHIKI KAISHA (JP) 1990-09-18 US claimed
EP-0359540-A2 Process for 1-carba(dethia) cephalosporins ELI LILLY AND COMPANY (US) 1990-03-21 EP claimed
EP-0071926-B1 NEW RIBOFURANURONIC ACID DERIVATIVES, PROCESSES FOR PREPARATION THEREOF AND PHARMACEUTICAL COMPOSITIONS THEREOF FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1986-10-08 EP claimed
US-4563450-A CEPHALOSPORINS, MICROBIOCIDES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1986-01-07 US claimed
EP-0033965-B1 NEW CEPHEM COMPOUNDS AND PROCESSES FOR PREPARATION THEREOF FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1985-05-15 EP claimed
EP-0071926-A1 New ribofuranuronic acid derivatives, processes for preparation thereof and pharmaceutical compositions thereof FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1983-02-16 EP claimed
EP-0033965-A2 New cephem compounds and processes for preparation thereof FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1981-08-19 EP claimed
US-4091214-A ALPHA-HYDROXY CARBOXYLIC ACID ELI LILLY AND COMPANY (US) 1978-05-23 US claimed
US-3989685-A FROM PENICILLIN-1-OXIDE SHINOGI & CO., LTD. (JA) 1976-11-02 US claimed
JP-56020587-A None JP disclosed
US-3956292-A 7-(α-FUROYLUREIDOARYL AND CYCLOHEXADIENYLACETAMIDO) CEPHALOSPORIN ANTIBIOTICS ELI LILLY AND COMPANY (US) 1976-05-11 US disclosed
US-3946003-A ANTIBIOTICS ELI LILLY AND COMPANY (US) 1976-03-23 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-20020016329-A1 2-Amino-6-anilino-purines and their use as medicaments CDK14, CDK1, CCNB1 ERCC1 1464/4885ERCC4 1092/4885ALDH1A1 4801/4885

“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.