SCHEMBL3448122

SCHEMBL3448122

CCOC(=O)c1cncc(-c2cnc(Nc3ccc(F)c(Cl)c3)nc2N2CCOCC2)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RY12 Q9H244 4/20 0.46
SMN1; SMN2 Q16637 2/20 0.44
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
PAK1 Q13153 1/20 0.44
MTOR P42345 4/20 0.43
LMNA P02545 2/20 0.43
KDM4E B2RXH2 1/20 0.43
ALDH1A1 P00352 1/20 0.43
HPGD P15428 1/20 0.43
ALOX15 P16050 1/20 0.43
HSD17B10 Q99714 1/20 0.43
GAA P10253 2/20 0.42
MAPT P10636 2/20 0.42
JAK2 O60674 1/20 0.42
FLT3 P36888 1/20 0.42
AURKA O14965 1/20 0.42
AURKB Q96GD4 1/20 0.42
POLB P06746 1/20 0.42
EGFR P00533 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
SCHEMBL3449488 0.93 P2RY12 (0.48) P2RY12PAK1EGFRBRD4PTK2
SCHEMBL3448621 0.93 P2RY12 (0.48) P2RY12PAK1EGFRBRD4PTK2
SCHEMBL3448877 0.93 JAK2 (0.45) P2RY12SMN1; SMN2NPC1RAB9APAK1
SCHEMBL3448416 0.92 P2RY12 (0.46) P2RY12PAK1EGFRBRD4PTK2
SCHEMBL3451839 0.92 SMN1; SMN2 (0.45) P2RY12SMN1; SMN2NPC1RAB9AMTOR
SCHEMBL3448014 0.92 P2RY12 (0.47) P2RY12PAK1LMNAEGFRBRD4
SCHEMBL3449923 0.92 P2RY12 (0.47) P2RY12PAK1LMNAEGFRBRD4
SCHEMBL3447080 0.92 PAK1 (0.53) P2RY12PAK1EGFRBRD4
SCHEMBL3449006 0.91 MTOR (0.45) P2RY12SMN1; SMN2NPC1RAB9AMTOR
SCHEMBL3449965 0.91 P2RY12 (0.46) P2RY12PAK1FLT3EGFRBRD4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100137313-A1 HETEROCYCLIC DERIVATIVES AND METHODS OF USE THEREOF ASTRAZENECA AB 2010-06-03 US disclosed
US-20100137313-A1 HETEROCYCLIC DERIVATIVES AND METHODS OF USE THEREOF ASTRAZENECA AB 2010-06-03 US disclosed
US-20100137313-A1 HETEROCYCLIC DERIVATIVES AND METHODS OF USE THEREOF ASTRAZENECA AB 2010-06-03 US disclosed
WO-2010038081-A2 HETEROCYCLIC DERIVATIVES AND METHODS OF USE THEREOF ASTRAZENECA AB (SE) 2010-04-08 WO 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-20100137313-A1 HETEROCYCLIC DERIVATIVES AND METHODS OF USE THEREOF SDHA, SDHB, UROD P2RY12 2175/4885SMN1; SMN2 3328/4885NPC1 603/4885

“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.