SCHEMBL2928571

SCHEMBL2928571

O=C(c1ccc(Nc2cncc(-c3cc4ccccc4[nH]3)n2)cc1)N1CCOCC1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BTK Q06187 1/20 0.53
SMN1; SMN2 Q16637 2/20 0.49
POLB P06746 2/20 0.49
RIPK1 Q13546 1/20 0.48
HPGD P15428 4/20 0.48
MAPT P10636 3/20 0.48
ALDH1A1 P00352 2/20 0.48
HTT P42858 2/20 0.48
ATM Q13315 1/20 0.48
KDM4E B2RXH2 2/20 0.46
RAB9A P51151 1/20 0.46
BRAF P15056 2/20 0.45
FLT3 P36888 2/20 0.45
RXFP1 Q9HBX9 1/20 0.44
PIK3CD O00329 1/20 0.44
PIK3CA P42336 1/20 0.44
MTOR P42345 1/20 0.44
TNKS O95271 1/20 0.44
PKM P14618 1/20 0.43
ROCK2 O75116 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
Acetic Acid SCHEMBL2934985 0.96 BTK (0.52) BTKSMN1; SMN2POLBRIPK1HPGD
SCHEMBL2928618 0.90 KDM4E (0.52) BTKSMN1; SMN2POLBRIPK1ALDH1A1
SCHEMBL2927882 0.85 RIPK1 (0.55) SMN1; SMN2POLBRIPK1HPGDJAK2
SCHEMBL2930665 0.85 LRRK2 (0.53) JAK2LRRK2
Hydrochloric Acid SCHEMBL2935656 0.85 RIPK1 (0.54) SMN1; SMN2POLBRIPK1HPGDJAK2
SCHEMBL2929169 0.82 ATR (0.47) PIK3CAMTOR
SCHEMBL2930294 0.82 ATR (0.47) PIK3CAMTOR
SCHEMBL2927054 0.81 POLB (0.49) BTKSMN1; SMN2POLBRIPK1HPGD
SCHEMBL2934019 0.81 BRAF (0.47) RIPK1BRAFFLT3JAK3LRRK2
Trifluoroacetic Acid SCHEMBL2934334 0.80 LRRK2 (0.51) JAK2LRRK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2044051-B1 PYRIDINE AND PYRAZINE DERIVATIVES AS MNK KINASE INHIBITORS BIOVITRUM AB PUBL (SE) 2010-01-27 EP claimed
US-20080039450-A1 Compounds BIOVITRUM AB (PUBL.) (SE) 2008-02-14 US claimed
EP-2044051-B1 PYRIDINE AND PYRAZINE DERIVATIVES AS MNK KINASE INHIBITORS BIOVITRUM AB PUBL (SE) 2010-01-27 EP disclosed
EP-2044051-B1 PYRIDINE AND PYRAZINE DERIVATIVES AS MNK KINASE INHIBITORS BIOVITRUM AB PUBL (SE) 2010-01-27 EP disclosed
US-20080039450-A1 Compounds BIOVITRUM AB (PUBL.) (SE) 2008-02-14 US disclosed
US-20080039450-A1 Compounds BIOVITRUM AB (PUBL.) (SE) 2008-02-14 US disclosed
WO-2007147874-A1 PYRIDINE AND PYRAZINE DERIVATIVES AS MNK KINASE INHIBITORS BIOVITRUM AB (PUBL) (SE) 2007-12-27 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 (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-20080039450-A1 Compounds NEK2, CSNK2A3, CSNK2A1 BTK 805/4885SMN1; SMN2 567/4885POLB 1721/4885

“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.