SCHEMBL4033131

SCHEMBL4033131

Nc1nccc2cc3cccnc3n12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK9 P50750 2/20 0.43
CDK5 Q00535 2/20 0.41
ABL1 P00519 1/20 0.41
LCK P06239 1/20 0.41
FYN P06241 1/20 0.41
RET P07949 1/20 0.41
FGFR1 P11362 1/20 0.41
PDGFRA P16234 1/20 0.41
PRKACA P17612 1/20 0.41
KDR P35968 1/20 0.41
MAP2K2 P36507 1/20 0.41
FLT3 P36888 1/20 0.41
MAPK8 P45983 1/20 0.41
MAPK9 P45984 1/20 0.41
CSNK1A1 P48729 1/20 0.41
CDK8 P49336 1/20 0.41
NEK2 P51955 1/20 0.41
LIMK1 P53667 1/20 0.41
MAP2K1 Q02750 1/20 0.41
ACVR1 Q04771 1/20 0.41

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
SCHEMBL14269055 0.79 SLC22A12 (0.38) CDK2CDC7KDM4EATMALDH1A1
SCHEMBL13812076 0.79 MEN1 (0.37) CDK2CDC7KDM4EATMMAPT
SCHEMBL4035865 0.70 MTNR1A (0.40) KDM4EMAPTALDH1A1PARP1MEN1
SCHEMBL4504578 0.69 KDM4E (0.37) CDK2CDC7KDM4EATMMAPT
SCHEMBL4027865 0.69 MAPK8 (0.43) MAPK8MAP2K1CLK4DYRK1BKDM4E
SCHEMBL16363724 0.67 KDM4D (0.43) CDK2CDC7KDM4EATMMAPT
SCHEMBL4027701 0.67 ALDH1A1 (0.55) KDM4EMAPTTP53HSP90AA1TSHR
SCHEMBL2960574 0.67 NCOA3 (0.37) CDK2CDC7KDM4EATMMAPT
SCHEMBL19233651 0.66 CDC7 (0.46) ABL1KDRCDK2CDC7KDM4E
SCHEMBL13220586 0.63 CDK9 (0.58) CDK9CDK5ABL1LCKFYN

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-1307454-B1 DERIVATIVES OF VARIOLIN B PHARMA MAR SA (ES) 2009-06-03 EP disclosed
EP-1307454-B1 DERIVATIVES OF VARIOLIN B PHARMA MAR SA (ES) 2009-06-03 EP disclosed
US-7329666-B2 Derivatives of variolin B PHARMA MAR, S.A. (ES) 2008-02-12 US disclosed
US-7329666-B2 Derivatives of variolin B PHARMA MAR, S.A. (ES) 2008-02-12 US disclosed
US-20080033001-A1 Derivatives of Variolin B UNIVERSIDAD DE BARCELONA (ES) 2008-02-07 US disclosed
US-20080033001-A1 Derivatives of Variolin B UNIVERSIDAD DE BARCELONA (ES) 2008-02-07 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 (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-20080033001-A1 Derivatives of Variolin B ARG2, SDHB, OAT CDK9 1601/4885CDK5 1270/4885ABL1 193/4885

“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.