SCHEMBL2933714

SCHEMBL2933714

O=C(c1ccccc1)c1cc(-c2cncc(-c3ccc(C(=O)N4CCOCC4)cc3)n2)ccc1O

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HPGD P15428 5/20 0.55
ALDH1A1 P00352 3/20 0.52
GAA P10253 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
ATR Q13535 2/20 0.48
TGFBR1 P36897 1/20 0.47
ERN1 O75460 3/20 0.47
TSHR P16473 3/20 0.46
LMNA P02545 1/20 0.46
ACACB O00763 1/20 0.45
ACACA Q13085 1/20 0.45
KDM4E B2RXH2 1/20 0.45
USP2 O75604 1/20 0.45
TP53 P04637 1/20 0.45
POLB P06746 1/20 0.45
HSD17B10 Q99714 1/20 0.45
CYP2C9 P11712 1/20 0.44

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
SCHEMBL2931412 0.81 CHEK1 (0.62) HPGDALDH1A1SMN1; SMN2ATRERN1
SCHEMBL2932360 0.80 MKNK1 (0.60) HPGDALDH1A1SMN1; SMN2ATRERN1
SCHEMBL2933173 0.78 HPGD (0.50) HPGDALDH1A1SMN1; SMN2ATRTGFBR1
SCHEMBL16420505 0.76 ATR (0.71) HPGDALDH1A1SMN1; SMN2ATRTSHR
SCHEMBL1679573 0.76 KMT2A (0.59) HPGDALDH1A1GAASMN1; SMN2ATR
SCHEMBL2936901 0.75 FASN (0.53) HPGDSMN1; SMN2ACACBACACA
SCHEMBL2927132 0.75 MKNK1 (0.62) HPGDALDH1A1SMN1; SMN2ATRTGFBR1
SCHEMBL2927882 0.75 RIPK1 (0.55) HPGDSMN1; SMN2ATRTGFBR1POLB
SCHEMBL2929014 0.75 PHGDH (0.57) HPGDALDH1A1SMN1; SMN2ATR
Hydrochloric Acid SCHEMBL2935656 0.74 RIPK1 (0.54) HPGDSMN1; SMN2ATRTGFBR1POLB

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 6 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 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
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 HPGD 3066/4885ALDH1A1 3748/4885GAA 1048/4885

“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.