SCHEMBL213237

SCHEMBL213237

Cc1ccc(OC2CNC2)cc1-n1cnc(C(N)=O)c1C(=O)Nc1nc2ccccc2[nH]1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 12/20 0.43
NPC1 O15118 11/20 0.43
KMT2A Q03164 7/20 0.43
MEN1 O00255 6/20 0.43
RXFP1 Q9HBX9 1/20 0.42
SMN1; SMN2 Q16637 5/20 0.42
PKM P14618 4/20 0.42
LMNA P02545 1/20 0.41
MAPT P10636 1/20 0.41
KDM4E B2RXH2 1/20 0.41
KLF5 Q13887 2/20 0.40
TP53 P04637 1/20 0.40
RPS6KA2 Q15349 1/20 0.40
IRAK4 Q9NWZ3 1/20 0.40
OPRK1 P41145 1/20 0.39
CYP3A4 P08684 1/20 0.39
POLB P06746 1/20 0.39
HTT P42858 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
SCHEMBL213793 0.88 RAB9A (0.43) RAB9ANPC1KMT2AMEN1RXFP1
Hydrochloric Acid SCHEMBL215093 0.87 RAB9A (0.42) RAB9ANPC1KMT2AMEN1RXFP1
SCHEMBL213387 0.86 RAB9A (0.49) RAB9ANPC1KMT2AMEN1RXFP1
SCHEMBL214823 0.81 CHEK2 (0.35) RAB9ANPC1KMT2AMEN1RXFP1
SCHEMBL216260 0.81 CHEK2 (0.35) RAB9ANPC1KLF5RPS6KA2IRAK4
Hydrochloric Acid SCHEMBL213800 0.81 CHEK2 (0.35) RAB9ANPC1KMT2AMEN1RXFP1
Hydrochloric Acid SCHEMBL216946 0.81 TOP2A (0.35) RAB9ANPC1KLF5RPS6KA2IRAK4
SCHEMBL214697 0.77 KDM1A (0.42) NPC1SMN1; SMN2MAPTTP53CYP3A4
SCHEMBL214143 0.75 KDM1A (0.42) SMN1; SMN2LMNAMAPTTP53CYP3A4
SCHEMBL214620 0.75 CHEK2 (0.39) RAB9ANPC1KMT2AMEN1RXFP1

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 RAB9A 2213/4885NPC1 3307/4885KMT2A 437/4885

“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.