SCHEMBL2013164

SCHEMBL2013164

c1ccc(SCc2ccc3ccccc3c2C2c3ccccc3-c3ccccc32)nc1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 6/20 0.40
RAB9A P51151 6/20 0.40
SMN1; SMN2 Q16637 4/20 0.40
ALDH1A1 P00352 4/20 0.39
LMNA P02545 3/20 0.39
MAPT P10636 3/20 0.39
KDM4E B2RXH2 2/20 0.39
APOBEC3A P31941 1/20 0.39
HTT P42858 1/20 0.39
APOBEC3G Q9HC16 1/20 0.39
HSD17B3 P37058 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
PKM P14618 1/20 0.36
TSHR P16473 2/20 0.36
GAA P10253 1/20 0.36
APEX1 P27695 1/20 0.36
POLB P06746 1/20 0.35
NPSR1 Q6W5P4 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
SCHEMBL3199343 0.74 HTR2A (0.36) ALDH1A1MAPTKDM4EMEN1KMT2A
SCHEMBL28946011 0.73 CYP1A2 (0.39) NPC1RAB9ASMN1; SMN2ALDH1A1LMNA
SCHEMBL27297136 0.65 HDAC1 (0.49) NPC1RAB9ASMN1; SMN2ALDH1A1LMNA
SCHEMBL27614144 0.65 MAPT (0.47) NPC1RAB9ASMN1; SMN2ALDH1A1LMNA
SCHEMBL27789198 0.64 HTR2A (0.42) ALDH1A1MAPTKDM4EHTTMEN1
SCHEMBL1361278 0.62 MAPT (0.70) NPC1RAB9ASMN1; SMN2ALDH1A1LMNA
SCHEMBL29587981 0.62 SLC1A2 (0.64) NPC1RAB9ASMN1; SMN2ALDH1A1LMNA
SCHEMBL982364 0.61 HTR2A (0.46) NPC1RAB9ASMN1; SMN2ALDH1A1MAPT
SCHEMBL8966049 0.61 ESR1 (0.41) ALDH1A1LMNAMAPTKDM4ETSHR
SCHEMBL11091368 0.61 CYP1A2 (0.56) NPC1RAB9ASMN1; SMN2ALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110183985-A1 SUBSTITUTED FUSED ARYL AND HETEROARYL DERIVATIVES AS PI3K INHIBITORS INCYTE CORPORATION 2011-07-28 US claimed
WO-2011075630-A1 SUBSTITUTED FUSED ARYL AND HETEROARYL DERIVATIVES AS PI3K INHIBITORS INCYTE CORPORATION (US) 2011-06-23 WO claimed
WO-2011075630-A1 SUBSTITUTED FUSED ARYL AND HETEROARYL DERIVATIVES AS PI3K INHIBITORS INCYTE CORPORATION (US) 2011-06-23 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-20110183985-A1 SUBSTITUTED FUSED ARYL AND HETEROARYL DERIVATIVES AS PI3K INHIBITORS PIK3R1, PIK3R3, PIK3R2 NPC1 3274/4885RAB9A 726/4885SMN1; SMN2 4640/4885

“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.