SCHEMBL1821874

SCHEMBL1821874

Cc1nn(C)c(N)c1C#N

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.47
LMNA P02545 5/20 0.45
ALDH1A1 P00352 4/20 0.45
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
TDP1 Q9NUW8 1/20 0.45
PKM P14618 1/20 0.41
MAPT P10636 4/20 0.40
POLB P06746 3/20 0.39
KDM4E B2RXH2 2/20 0.39
PIK3CG P48736 1/20 0.37
GAA P10253 2/20 0.37
LRRK2 Q5S007 1/20 0.36

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
SCHEMBL11543788 0.80 LMNA (0.41) TSHRLMNAALDH1A1MEN1KMT2A
SCHEMBL11698200 0.78 KMT2A (0.41) TSHRLMNAALDH1A1MEN1KMT2A
SCHEMBL4354498 0.77 ALDH1A1 (0.41) TSHRLMNAALDH1A1MEN1KMT2A
SCHEMBL15277537 0.77 PKM (0.40) PKMMAPTGAA
SCHEMBL16654250 0.77 DYRK1A (0.37) TSHRLMNAALDH1A1MEN1KMT2A
SCHEMBL12636691 0.76 MAPT (0.38) TSHRLMNAALDH1A1MEN1KMT2A
SCHEMBL7352542 0.75 TSHR (0.56) TSHRLMNAALDH1A1MEN1KMT2A
SCHEMBL23284547 0.74 PIK3CG (0.37) TSHRLMNAALDH1A1MEN1KMT2A
SCHEMBL16402575 0.74 KMT2A (0.37) TSHRLMNAALDH1A1MEN1KMT2A
SCHEMBL4354444 0.74 PIK3CG (0.37) TSHRLMNAALDH1A1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0561836-A1 SUBSTITUTED 5-AMINOPYRAZOLS BASF Aktiengesellschaft (DE) 1993-09-29 EP claimed
WO-1992010480-A1 SUBSTITUTED 5-AMINOPYRAZOLS BASF AKTIENGESELLSCHAFT (DE) 1992-06-25 WO claimed
EP-4719385-A2 1H-PYRAZOLO[3,4-D]PYRIMIDIN-4-AMINES AS ANTI-INFECTIOUS AGENTS University of Vermont and State Agricultural College (US) 2026-04-08 EP disclosed
WO-2024249380-A2 1H-PYRAZOLO[3,4-D]PYRIMIDIN-4-AMINES AS ANTI-INFECTIOUS AGENTS UNIVERSITY OF VERMONT AND STATE AGRICULTURAL COLLEGE (US) 2024-12-05 WO disclosed
CN-117924277-A Oxime ether compound and preparation method, pharmaceutical composition and application thereof 中国药科大学 2024-04-26 CN disclosed
EP-3954681-A1 SPIROHEPTANE SALICYLAMIDES AND RELATED COMPOUNDS AS INHIBITORS OF ROCK Bristol-Myers Squibb Company (US) 2022-02-16 EP disclosed
EP-3402790-B1 SPIROHEPTANE SALICYLAMIDES AND RELATED COMPOUNDS AS INHIBITORS OF ROCK BRISTOL MYERS SQUIBB CO (US) 2021-10-06 EP disclosed
EP-2468748-B1 Pyrazoloquinolones are potent parp inhibitors ABBVIE INC (US) 2016-05-25 EP disclosed
CN-101421268-B As the pyrazolo quinolone of effective PARP inhibitor ABBVIE (US) 2016-01-06 CN disclosed
US-8987280-B2 Pyrazolopyrimidine PI3K inhibitor compounds and methods of use GENENTECH, INC. (US) 2015-03-24 US disclosed
US-8987280-B2 Pyrazolopyrimidine PI3K inhibitor compounds and methods of use GENENTECH, INC. (US) 2015-03-24 US disclosed
US-20050153059-A1 Partial plating method, partially-plated resin base, method for manufacturing multilayered circuit board ZEON CORPORATION (JP) 2005-07-14 US disclosed
US-20050004143-A1 Bi-cyclic pyrimidine inhibitors of TGFbeta SCIOS, INC. 2005-01-06 US disclosed
WO-2004106492-A2 BICYCLICPYRIMIDONES AND THEIR USE TO TREAT DISEASES BRISTOL-MYERS SQUIBB COMPANY (US) 2004-12-09 WO disclosed
US-20040237295-A1 Multilayer circuit board and resin base material, and its production method ZEON CORPORATION (JP) 2004-12-02 US disclosed
US-20040242596-A1 Bicyclicpyrimidones and their use to treat diseases BRISTOL-MYERS SQUIBB COMPANY 2004-12-02 US disclosed
WO-2004087056-A2 BI-CYCLIC PYRIMIDINE INHIBITORS OF TGFβ SCIOS INC. (US) 2004-10-14 WO disclosed
US-5541187-A HYPOTENSIVE AGENTS STERLING WINTHROP INC. (US) 1996-07-30 US disclosed
EP-0636626-A1 Pyrazolopyrimidine Derivatives LABORATOIRES GLAXO SA (FR) 1995-02-01 EP disclosed
US-5294612-A Hypotensive agents and cardiovascular disorders STERLING WINTHROP INC. (US) 1994-03-15 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-20040242596-A1 Bicyclicpyrimidones and their use to treat diseases CCNB1, CCNB2, CCNI TSHR 4731/4885LMNA 678/4885ALDH1A1 1375/4885
US-20050004143-A1 Bi-cyclic pyrimidine inhibitors of TGFbeta TYMP, TYMS, TGFBR1 TSHR 3220/4885LMNA 2007/4885ALDH1A1 2042/4885

“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.