SCHEMBL3014789

SCHEMBL3014789

CCOc1cccc(Nn2cnc3cncnc32)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.40
ALDH1A1 P00352 4/20 0.40
TSHR P16473 3/20 0.40
CYP3A4 P08684 3/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
USP2 O75604 2/20 0.40
CYP1A2 P05177 2/20 0.40
CYP2D6 P10635 2/20 0.40
CYP2C9 P11712 2/20 0.40
CYP2C19 P33261 2/20 0.40
CLK4 Q9HAZ1 2/20 0.40
SYK P43405 1/20 0.40
HTT P42858 2/20 0.37
HSD17B10 Q99714 1/20 0.37
NPSR1 Q6W5P4 1/20 0.36
LTA4H P09960 1/20 0.36
RAB9A P51151 1/20 0.36
TP53 P04637 1/20 0.35
KDM4E B2RXH2 1/20 0.35

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
SCHEMBL28251675 0.79 CYP1A2 (0.42) LMNAALDH1A1TSHRCYP3A4MEN1
SCHEMBL2429098 0.78 CYP1A2 (0.41) LMNAALDH1A1TSHRCYP3A4MEN1
Hydrochloric Acid SCHEMBL7659960 0.78 CYP1A2 (0.41) LMNAALDH1A1TSHRCYP3A4MEN1
SCHEMBL4409381 0.76 NPC1 (0.41) LMNAALDH1A1TSHRCYP3A4MEN1
SCHEMBL3016798 0.74 CA2 (0.43) MEN1KMT2ACLK4SYKGSK3B
SCHEMBL27491044 0.72 HAVCR2 (0.37) LMNAALDH1A1TSHRCYP3A4MEN1
SCHEMBL3014786 0.69 SYK (0.47) ALDH1A1TSHRCYP3A4MEN1KMT2A
SCHEMBL795951 0.69 L3MBTL1 (0.35) LMNAALDH1A1TSHRCYP3A4MEN1
SCHEMBL10411688 0.68 SYK (0.58) LMNATSHRCYP3A4MEN1KMT2A
SCHEMBL796979 0.68 FDPS (0.32) TSHRLTA4HKDM4E

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-20100204187-A1 Purine Derivatives PALAU PHARMA, S.A. (ES) 2010-08-12 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-20100204187-A1 Purine Derivatives JAK3, JAK1, JAK2 LMNA 4233/4885ALDH1A1 1686/4885TSHR 3018/4885

“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.