SCHEMBL213851

SCHEMBL213851

COc1ccc(CNC(=O)c2ncn(-c3nc4ccccc4[nH]3)c2C(N)=O)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.46
ALOX15 P16050 1/20 0.46
POLB P06746 1/20 0.44
RXFP1 Q9HBX9 1/20 0.44
TP53 P04637 1/20 0.44
KDM4E B2RXH2 2/20 0.44
ALDH1A1 P00352 2/20 0.44
NPC1 O15118 3/20 0.43
RAB9A P51151 3/20 0.43
THRB P10828 1/20 0.43
ALKBH3 Q96Q83 1/20 0.43
PKM P14618 2/20 0.43
LMNA P02545 1/20 0.43
HTT P42858 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
MAPT P10636 1/20 0.43
PTGER4 P35408 1/20 0.42
KMT2A Q03164 2/20 0.42
MEN1 O00255 1/20 0.42
CYP1A2 P05177 1/20 0.42

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
SCHEMBL213518 0.91 SMN1; SMN2 (0.52) POLBKDM4EALDH1A1SMN1; SMN2KMT2A
SCHEMBL215699 0.90 MAPT (0.43) POLBTP53KDM4ELMNASMN1; SMN2
SCHEMBL213970 0.90 SMN1; SMN2 (0.48) POLBRXFP1TP53KDM4EALDH1A1
SCHEMBL216561 0.86 MAPT (0.49) L3MBTL1POLBKDM4EALDH1A1NPC1
SCHEMBL216143 0.86 NPC1 (0.49) L3MBTL1POLBTP53KDM4EALDH1A1
SCHEMBL213583 0.81 SLC40A1 (0.48) KDM4EALDH1A1
SCHEMBL213393 0.81 MAPT (0.46) RXFP1KDM4EALDH1A1NPC1RAB9A
SCHEMBL213719 0.81 ALDH1A1 (0.44) POLBTP53ALDH1A1NPC1RAB9A
SCHEMBL216093 0.81 MAPT (0.49) POLBTP53KDM4EALDH1A1NPC1
SCHEMBL214763 0.81 NTRK1 (0.49) L3MBTL1POLBRXFP1TP53KDM4E

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-8088767-B2 JAK-2 modulators and methods of use EXELIXIS, INC. (US) 2012-01-03 US claimed
US-20100136136-A1 JAK-2 Modulators and Methods of Use EXELIXIS, INC. (US) 2010-06-03 US claimed
US-8088767-B2 JAK-2 modulators and methods of use EXELIXIS, INC. (US) 2012-01-03 US disclosed
US-20100136136-A1 JAK-2 Modulators and Methods of Use EXELIXIS, INC. (US) 2010-06-03 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-20100136136-A1 JAK-2 Modulators and Methods of Use JAK2, JAK1, JAK3 L3MBTL1 3660/4885ALOX15 2417/4885POLB 3464/4885

“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.