SCHEMBL3516153

SCHEMBL3516153

COc1ccc(-c2cnn3ccc(-c4ccc(OCCCN)c(OC)c4)cc23)cc1OC

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
LMNA P02545 1/20 0.45
POLB P06746 1/20 0.45
GAK O14976 1/20 0.44
MEN1 O00255 1/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
KMT2A Q03164 1/20 0.43
FYN P06241 4/20 0.43
HPGDS O60760 1/20 0.41
ALDH1A1 P00352 1/20 0.41
GAA P10253 1/20 0.41
QPCT Q16769 3/20 0.39
PRKCA P17252 2/20 0.39
PRKCI P41743 2/20 0.39
PRKCE Q02156 2/20 0.39
PRKAB2 O43741 1/20 0.39
PRKAG1 P54619 1/20 0.39
PRKAA2 P54646 1/20 0.39

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
SCHEMBL3513472 0.82 MAPT (0.67) MAPTSMN1; SMN2LMNAPOLBGAK
SCHEMBL182931 0.67 PIK3CD (0.59) KIT
SCHEMBL15765933 0.65 KDM4E (0.54) MAPTGAAKDM4E
SCHEMBL1424073 0.65 MAPT (0.74) MAPTSMN1; SMN2LMNAPOLBGAK
SCHEMBL4727573 0.65 FYN (0.60) MAPTSMN1; SMN2LMNAPOLBGAK
SCHEMBL1424242 0.65 PLAT (0.57) MAPTSMN1; SMN2LMNAPOLBGAK
SCHEMBL183417 0.64 PIK3CD (0.59) RETKIT
SCHEMBL6649844 0.64 L3MBTL1 (0.67) MAPTSMN1; SMN2LMNAPOLBNPC1
SCHEMBL4558600 0.64 FYN (0.74) MAPTSMN1; SMN2LMNAPOLBGAK
SCHEMBL4326781 0.64 FYN (0.66) MAPTSMN1; SMN2LMNAPOLBMEN1

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-20100311729-A1 Substituted imidazopyridazines and pyrrolopyrimidines as lipid kinase inhibitors CAPRARO HANS-GEORG 2010-12-09 US claimed

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-20100311729-A1 Substituted imidazopyridazines and pyrrolopyrimidines as lipid kinase inhibitors PI4KA, PIP5K1B, PIP4K2A MAPT 4070/4885SMN1; SMN2 4827/4885LMNA 4734/4885

“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.