SCHEMBL6538445

SCHEMBL6538445

CC(C)n1nc(-c2ccc(NC(=O)c3cccnc3)nc2-c2ccccc2)ccc1=O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CSNK1D P48730 3/20 0.47
CSNK1E P49674 3/20 0.47
LMNA P02545 3/20 0.46
KDM4E B2RXH2 2/20 0.46
ALDH1A1 P00352 2/20 0.46
POLB P06746 1/20 0.46
HSD17B10 Q99714 2/20 0.44
EPHX2 P34913 4/20 0.43
ADORA3 P0DMS8 1/20 0.43
TMIGD3 P0DMS9 1/20 0.43
TP53 P04637 2/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
PRKAB2 O43741 1/20 0.40
PRKAG1 P54619 1/20 0.40
PRKAA2 P54646 1/20 0.40
PRKAA1 Q13131 1/20 0.40
PRKAG3 Q9UGI9 1/20 0.40
PRKAG2 Q9UGJ0 1/20 0.40

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
SCHEMBL6538384 0.92 TP53 (0.44) CSNK1DCSNK1ELMNAKDM4EPOLB
SCHEMBL6133862 0.86 LMNA (0.45) CSNK1DCSNK1ELMNAKDM4EALDH1A1
SCHEMBL6539021 0.83 TP53 (0.45) LMNAKDM4EALDH1A1POLBADORA3
SCHEMBL6539065 0.81 ADORA1 (0.43) CSNK1DCSNK1ELMNAPOLBTP53
SCHEMBL6538465 0.81 GPR84 (0.43) KDM4EALDH1A1POLBHSD17B10RAB9A
SCHEMBL6134310 0.78 GAA (0.45) KDM4EALDH1A1EPHX2ADORA3TP53
SCHEMBL6538914 0.78 TP53 (0.38) KDM4EPOLBHSD17B10TP53
SCHEMBL6538385 0.76 RET (0.41) ALDH1A1HSD17B10
SCHEMBL6539007 0.75 PDE9A (0.39) LMNAKDM4EALDH1A1HSD17B10ADORA3
SCHEMBL6134147 0.74 KDM4E (0.48) LMNAKDM4EALDH1A1POLBADORA3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040067955-A1 Pyridazinone compound and pharmaceutical use thereof FUJISAWA PHARMACEUTICAL CO. LTD. (JP) 2004-04-08 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-20040067955-A1 Pyridazinone compound and pharmaceutical use thereof ADORA1, ADORA2A, P2RX5 CSNK1D 630/4885CSNK1E 914/4885LMNA 1052/4885

“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.