SCHEMBL1368573

SCHEMBL1368573

c1cnc2c(c1)ccc1nncn12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 2/20 0.40
KDM4E B2RXH2 3/20 0.38
MAPT P10636 3/20 0.38
TSHR P16473 2/20 0.38
GMNN O75496 1/20 0.38
LMNA P02545 1/20 0.38
TP53 P04637 1/20 0.38
HSP90AA1 P07900 1/20 0.38
MMP2 P08253 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
MMP9 P14780 1/20 0.38
ALOX15 P16050 1/20 0.38
NFKB1 P19838 1/20 0.38
MMP8 P22894 1/20 0.38
CCR1 P32246 1/20 0.38
THPO P40225 1/20 0.38
MTOR P42345 1/20 0.38
HTT P42858 1/20 0.38
MMP13 P45452 1/20 0.38

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
SCHEMBL1368544 0.78 PARP1 (0.42) KDM4EMAPTTSHRGMNNLMNA
SCHEMBL31624542 0.78 PARP1 (0.42) KDM4EMAPTTSHRGMNNLMNA
SCHEMBL15471902 0.74 HRH4 (0.45) HRH4KDM4EMAPTTSHRTP53
SCHEMBL29664497 0.73 POLB (0.33) SMN1; SMN2CHRM1POLB
SCHEMBL1598267 0.72 SMN1; SMN2 (0.50) TSHRLMNAALOX15SMN1; SMN2POLB
SCHEMBL30013801 0.72 SMN1; SMN2 (0.50) TSHRLMNAALOX15SMN1; SMN2POLB
SCHEMBL1538495 0.71 SMN1; SMN2 (0.42) HRH4KDM4EMAPTTSHRLMNA
Hydrochloric Acid SCHEMBL11775175 0.70 SMN1; SMN2 (0.49) TSHRLMNAALOX15SMN1; SMN2POLB
SCHEMBL9611712 0.70 ALDH1A1 (0.40) KDM4EMAPTTSHRGMNNLMNA
SCHEMBL5766913 0.69 PARP15 (0.42) KDM4ETSHRLMNAMMP2CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9169282-B2 Metal complexes MERCK PATENT GMBH (DE) 2015-10-27 US disclosed
US-20110284799-A1 METAL COMPLEXES MERCK PATENT GMBH (DE) 2011-11-24 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-20110284799-A1 METAL COMPLEXES SOD1, AP1M1, AP3M1 HRH4 4710/4885KDM4E 3816/4885MAPT 1084/4885

“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.