SCHEMBL9433906

SCHEMBL9433906

Nc1ncnc2c1CCCC2

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LIMK1 P53667 3/20 0.46
NOS3 P29474 2/20 0.45
NOS1 P29475 2/20 0.45
NOS2 P35228 2/20 0.45
ACHE P22303 4/20 0.43
CDC7 O00311 3/20 0.42
DBF4 Q9UBU7 3/20 0.42
MEN1 O00255 1/20 0.41
MAPK1 P28482 1/20 0.41
KMT2A Q03164 1/20 0.41
BPTF Q12830 1/20 0.41
DYRK1A Q13627 1/20 0.38
TSHR P16473 2/20 0.37
EEF2K O00418 2/20 0.36
KDM4E B2RXH2 2/20 0.36
PI4KA P42356 1/20 0.36
PI4K2B Q8TCG2 1/20 0.36
PI4K2A Q9BTU6 1/20 0.36
PI4KB Q9UBF8 1/20 0.36
CACNB4 O00305 1/20 0.35

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
SCHEMBL361602 0.95 LIMK1 (0.46) LIMK1NOS3NOS1NOS2ACHE
SCHEMBL30095833 0.95 LIMK1 (0.46) LIMK1NOS3NOS1NOS2ACHE
SCHEMBL4195565 0.77 DYRK1A (0.35) LIMK1DYRK1API4KAPI4K2BPI4K2A
SCHEMBL31065827 0.77 PNMT (0.34) LIMK1NOS3NOS1NOS2CDC7
Hydrochloric Acid SCHEMBL30170812 0.75 DYRK1A (0.34) LIMK1DYRK1API4KAPI4K2BPI4K2A
SCHEMBL30666837 0.73 TSHR (0.37) ACHEMEN1MAPK1KMT2ABPTF
SCHEMBL31326619 0.73 TSHR (0.41) LIMK1NOS3NOS1NOS2ACHE
SCHEMBL9433900 0.73 TSHR (0.37) LIMK1NOS3NOS1NOS2ACHE
SCHEMBL855087 0.73 TSHR (0.37) ACHEMEN1MAPK1KMT2ABPTF
SCHEMBL16079383 0.73 KDM4E (0.45) NOS3NOS1NOS2ACHECDC7

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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110115365-A The adjusting that actinism receptor and relative ligand are carried out 西诺米克斯公司 2019-08-13 CN disclosed
US-10174005-B2 Fused pyrimidines as inhibitors of p97 complex CLEAVE BIOSCIENCES, INC. (US) 2019-01-08 US disclosed
US-20180044325-A1 FUSED PYRIMIDINES AS INHIBITORS OF P97 COMPLEX CLEAVE BIOSCIENCES, INC. 2018-02-15 US disclosed
CN-101779124-B Modulation of chemosensory receptors and ligands associated therewith 西诺米克斯公司 2017-12-12 CN disclosed
CN-107459508-A Annelated pyrimidines as the inhibitor of P97 compounds 克里弗生物科学公司 2017-12-12 CN disclosed
US-9828363-B2 Fused pyrimidines as inhibitors of P97 complex CLEAVE BIOSCIENCES, INC. (US) 2017-11-28 US disclosed
CN-107365319-A The regulation carried out to actinism acceptor and relative part 西诺米克斯公司 2017-11-21 CN disclosed
CN-104768946-B Fused pyrimidines as inhibitors of the p97 complex 克里弗生物科学公司 2017-05-03 CN disclosed
US-20160332990-A1 FUSED PYRIMIDINES AS INHIBITORS OF P97 COMPLEX CLEAVE BIOSCIENCES, INC. (US) 2016-11-17 US disclosed
CN-104768946-A Fused pyrimidines as inhibitors of the p97 complex CLEAVE BIOSCIENCES INC 2015-07-08 CN disclosed
CN-102548557-A Compounds for reducing beta-amyloid production BRISTOL MYERS SQUIBB CO 2012-07-04 CN disclosed
WO-1994011365-A1 SUBSTITUTED BENZIMIDAZOLES AND QUINAZOLINES AS ANTIHYPERTENSIVES AMERICAN HOME PRODUCTS CORPORATION (US) 1994-05-26 WO 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-10174005-B2 Fused pyrimidines as inhibitors of p97 complex WDR77, POP1, PSMG3 LIMK1 3684/4885NOS3 4758/4885NOS1 4846/4885
US-20160332990-A1 FUSED PYRIMIDINES AS INHIBITORS OF P97 COMPLEX WDR77, POP1, PSMG3 LIMK1 3684/4885NOS3 4758/4885NOS1 4846/4885
US-20180044325-A1 FUSED PYRIMIDINES AS INHIBITORS OF P97 COMPLEX WDR77, POP1, PSMG3 LIMK1 3683/4885NOS3 4757/4885NOS1 4842/4885

“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.