SCHEMBL2780925

SCHEMBL2780925

N=C(N)Nc1ncccn1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.42
HTT P42858 1/20 0.42
PLAU P00749 3/20 0.40
ALDH1A1 P00352 2/20 0.39
F2 P00734 1/20 0.38
PLG P00747 1/20 0.38
PLAT P00750 1/20 0.38
KLK1 P06870 1/20 0.38
PRSS1 P07477 1/20 0.38
KDM4E B2RXH2 1/20 0.36
GAA P10253 1/20 0.36
MAPT P10636 2/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
EPHX2 P34913 1/20 0.34
P2RX7 Q99572 1/20 0.33

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
SCHEMBL3988247 0.78 HSP90AA1 (0.36) EPHX2
SCHEMBL13792027 0.78 EPHX2 (0.41) EPHX2
Benzimidazole SCHEMBL28428503 0.77 ADORA2A (0.39) HTTALDH1A1KDM4EMAPT
SCHEMBL11038105 0.76 SCN9A (0.46) PLAUKDM4E
SCHEMBL11023285 0.76 AURKA (0.41) LMNAPLAUALDH1A1KDM4EGAA
SCHEMBL360111 0.75 MAPT (0.52) LMNAHTTALDH1A1MAPTL3MBTL1
SCHEMBL6961244 0.75 LMNA (0.52) LMNAHTTALDH1A1KDM4EGAA
SCHEMBL1594378 0.75 LMNA (0.52) LMNAHTTALDH1A1KDM4EGAA
SCHEMBL28991763 0.74 L3MBTL1 (0.47) LMNAKDM4EMAPTL3MBTL1
SCHEMBL5762582 0.74

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116422109-A Self-extraction layered carbon dioxide trapping system and method 嘉兴市碳捕手科技有限责任公司 2023-07-14 CN claimed
CN-101519378-B Diaryl pyrimidyl guanidine and preparation method and pharmaceutical use of same UNIV SHANXI NORMAL 2011-07-20 CN claimed
CN-101519378-A Diaryl pyrimidyl guanidine and preparation method and pharmaceutical use of same UNIV SHANXI NORMAL 2009-09-02 CN claimed
CN-220194438-U Carbon dioxide trapping system with self-extraction layering function 嘉兴市碳捕手科技有限责任公司 2023-12-19 CN disclosed
CN-116422109-A Self-extraction layered carbon dioxide trapping system and method 嘉兴市碳捕手科技有限责任公司 2023-07-14 CN disclosed
EP-3986465-A1 SITE-SPECIFIC, KINETICALLY INERT CONJUGATION OF LABELS AND/OR CARRIERS TO TARGET MOLECULES SUCH AS HIS-TAGGED PROTEINS VIA METAL COMPLEX REAGENTS Max-Planck-Gesellschaft zur Förderung der Wissenschaften E. V. (DE) 2022-04-27 EP disclosed
EP-3986466-A1 SITE-SPECIFIC, KINETICALLY INERT CONJUGATION OF LABELS AND/OR CARRIERS TO TARGET MOLECULES SUCH AS HIS-TAGGED PROTEINS VIA METAL COMPLEX REAGENTS Max-Planck-Gesellschaft zur Förderung der Wissenschaften E. V. (DE) 2022-04-27 EP disclosed
WO-2020254539-A1 SITE-SPECIFIC, KINETICALLY INERT CONJUGATION OF LABELS AND/OR CARRIERS TO TARGET MOLECULES SUCH AS HIS-TAGGED PROTEINS VIA METAL COMPLEX REAGENTS MAX-PLANCK-Gesellschaft zur Förderung der Wissenschaften e.V. (DE) 2020-12-24 WO disclosed
WO-2020254540-A1 SITE-SPECIFIC, KINETICALLY INERT CONJUGATION OF LABELS AND/OR CARRIERS TO TARGET MOLECULES SUCH AS HIS-TAGGED PROTEINS VIA METAL COMPLEX REAGENTS MAX-PLANCK-Gesellschaft zur Förderung der Wissenschaften e.V. (DE) 2020-12-24 WO disclosed
US-10414759-B2 Phenylthiazoles and uses thereof PURDUE RESEARCH FOUNDATION (US) 2019-09-17 US disclosed
US-20180319784-A1 PHENYLTHIAZOLES AND USES THEREOF PURDUE RESEARCH FOUNDATION (US) 2018-11-08 US disclosed
EP-0062439-A1 Guanidinopyrimidines SMITHKLINE BECKMAN CORPORATION (US) 1982-10-13 EP disclosed
EP-0062439-A1 Guanidinopyrimidines SMITHKLINE BECKMAN CORPORATION (US) 1982-10-13 EP disclosed
EP-0062439-A1 Guanidinopyrimidines SMITHKLINE BECKMAN CORPORATION (US) 1982-10-13 EP disclosed
EP-0061340-A1 New pharmaceutical compositions containing guanidinopyrimidines SMITHKLINE BECKMAN CORPORATION (US) 1982-09-29 EP disclosed
US-4347310-A INCREASED PHOTOSENZITIVITY USING GUANIDINE DERIVTIVES AS SENSITIZERS; PHOTOSTABILITY; STORAGE STABILITY ASAHI KASEI KOGYO KABUSHIKI KAISHA (JP) 1982-08-31 US disclosed
US-4336254-A Guanidinopyrimidine compounds, compositions and method of using as a diuretic SMITHKLINE CORPORATION (US) 1982-06-22 US disclosed
US-4336254-A Guanidinopyrimidine compounds, compositions and method of using as a diuretic SMITHKLINE CORPORATION (US) 1982-06-22 US disclosed
US-4336254-A Guanidinopyrimidine compounds, compositions and method of using as a diuretic SMITHKLINE CORPORATION (US) 1982-06-22 US disclosed
US-4336255-A DIURETICS SMITHKLINE CORPORATION (US) 1982-06-22 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 (2 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-20180319784-A1 PHENYLTHIAZOLES AND USES THEREOF TPMT, TST, CLPP LMNA 4725/4885HTT 2765/4885PLAU 169/4885
US-10414759-B2 Phenylthiazoles and uses thereof TPMT, TST, CLPP LMNA 4733/4885HTT 3052/4885PLAU 205/4885

“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.