SCHEMBL2748552

SCHEMBL2748552

CCCCS(=O)(=O)Nc1cc[c]cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 6/20 0.56
LMNA P02545 3/20 0.56
AR P10275 1/20 0.52
KDM4E B2RXH2 3/20 0.47
ALDH1A1 P00352 3/20 0.47
GAA P10253 1/20 0.47
MAPT P10636 1/20 0.47
THRA P10827 1/20 0.47
AURKA O14965 1/20 0.46
KDR P35968 1/20 0.46
AURKB Q96GD4 1/20 0.46
BRD4 O60885 3/20 0.45
KIT P10721 2/20 0.44
HSD17B10 Q99714 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.43
HTT P42858 2/20 0.43
NAMPT P43490 1/20 0.42
SGK1 O00141 1/20 0.42
PGR P06401 1/20 0.40
MEN1 O00255 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
SCHEMBL9297729 0.95 THRA (0.52) HPGDLMNAARKDM4EALDH1A1
SCHEMBL11822352 0.93 THRA (0.51) HPGDLMNAARKDM4EALDH1A1
SCHEMBL8091305 0.93 THRA (0.51) HPGDLMNAARKDM4EALDH1A1
SCHEMBL8982739 0.93 THRA (0.51) HPGDLMNAARKDM4EALDH1A1
SCHEMBL2537144 0.91 PGR (0.48) HPGDLMNAARKDM4ETHRA
SCHEMBL486249 0.84 HPGD (0.59) HPGDLMNAARMAPTAURKA
SCHEMBL4650966 0.83 AR (0.66) HPGDLMNAARKDM4EALDH1A1
SCHEMBL9850091 0.82 AR (0.47) HPGDLMNAARKDM4EALDH1A1
SCHEMBL4136916 0.81 AR (0.39) HPGDLMNAARKDM4EALDH1A1
SCHEMBL9156206 0.81 HPGD (0.60) HPGDLMNAARKDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1592426-B1 2-CYANOPYRROLOPYRIMIDINES AND PHARMACEUTICAL USES THEREOF NOVARTIS AG (CH) 2007-12-19 EP claimed
US-20060247251-A1 2-Cyanopyrrolopyrimidines and pharmaceutical uses thereof NOVARTIS AG (CH) 2006-11-02 US claimed
EP-1592426-A1 2-CYANOPYRROLOPYRIMIDINES AND PHARMACEUTICAL USES THEREOF Novartis AG (CH) 2005-11-09 EP claimed
WO-2004069256-A1 2-CYANOPYRROLOPYRIMIDINES AND PHARMACEUTICAL USES THEREOF NOVARTIS AG (CH) 2004-08-19 WO claimed
EP-4209482-A1 DYE COMPOSITION, INKJET RECORDING METHOD, IMAGE RECORDED MATERIAL, AND DYE COMPOUND FUJIFILM Corporation (JP) 2023-07-12 EP disclosed
US-20230183489-A1 COLORING COMPOSITION, INK JET RECORDING METHOD, IMAGE RECORDED MATERIAL, AND COLORING AGENT COMPOUND FUJIFILM CORPORATION (JP) 2023-06-15 US disclosed
CN-115989214-A Pigment composition, inkjet recording method, image recorded matter, and pigment compound 富士胶片株式会社 2023-04-18 CN disclosed
CN-113631392-B Inkjet ink, infrared absorption image forming method, and image forming method 富士胶片株式会社 2023-02-14 CN disclosed
CN-114729218-A Ink composition for inkjet recording and image recording method 富士胶片株式会社 2022-07-08 CN disclosed
CN-113631392-A Inkjet ink for infrared-absorbing image formation, infrared-absorbing image formation method, and image formation method 富士胶片株式会社 2021-11-09 CN disclosed
WO-2021095372-A1 INK COMPOSITION FOR INK-JET RECORDING AND METHOD FOR RECORDING IMAGE 富士フイルム株式会社 2021-05-20 WO disclosed
WO-2020202773-A1 INKJET INK FOR FORMING INFRARED ABSORBING IMAGE, METHOD FOR FORMING INFRARED ABSORBING IMAGE, AND METHOD FOR FORMING IMAGE 富士フイルム株式会社 2020-10-08 WO disclosed
US-4820816-A 3-trifuoromethylsulfonyloxy-substituted 1-carbacephalosporins as intermediates for antibiotics PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 1989-04-11 US disclosed
EP-0299728-A2 Carbonylation process for beta-lactam antibiotics ELI LILLY AND COMPANY (US) 1989-01-18 EP disclosed
US-4791106-A 1-Carbacephalosporin antibiotics ELI LILLY AND COMPANY (US) 1988-12-13 US disclosed
US-4778884-A REACTING TRIFLUOROMETHYLSULFONYLOXY COMPOUND WITH LITHIUM HALIDE IN APROTIC POLAR SOLVENT PRESIDENT & FELLOWS OF HARVARD COLLEGE (US) 1988-10-18 US disclosed
US-4769325-A 2-(Allenyl)penicillins BALDWIN JACK E (GB) 1988-09-06 US disclosed
EP-0232623-A1 1-Carbacephalosporin antibiotics ELI LILLY AND COMPANY (US) 1987-08-19 EP disclosed
US-4673737-A ANTIBIOTICS/ HARVARD UNIVERSITY (US) 1987-06-16 US disclosed
EP-0218323-A1 2-Propadienyl penicillin derivatives and intermediates Baldwin, Jack Edward (GB) 1987-04-15 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 (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-20060247251-A1 2-Cyanopyrrolopyrimidines and pharmaceutical uses thereof DPYD, P2RY1, P2RY2 HPGD 340/4885LMNA 4551/4885AR 4689/4885

“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.