SCHEMBL216808

SCHEMBL216808

Cc1cccc(C)c1NC(=O)c1c(C(N)=O)ncn1-c1nc2ccccc2[nH]1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.42
FPR1 P21462 1/20 0.41
ALDH1A1 P00352 4/20 0.40
KDM4E B2RXH2 3/20 0.40
MAPT P10636 6/20 0.40
MEN1 O00255 5/20 0.40
KMT2A Q03164 5/20 0.40
HTT P42858 4/20 0.40
NPSR1 Q6W5P4 4/20 0.40
TDP1 Q9NUW8 3/20 0.40
CYP3A4 P08684 2/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
LMNA P02545 3/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
MAPK1 P28482 2/20 0.39
ATM Q13315 1/20 0.39
POLB P06746 2/20 0.38

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
SCHEMBL213365 0.92 TP53 (0.52) TP53ALDH1A1KDM4EMAPTMEN1
SCHEMBL216500 0.88 CACNA1G (0.45) ALDH1A1KDM4EMAPTMEN1KMT2A
SCHEMBL213498 0.84 LMNA (0.47) TP53MAPTKMT2AHTTLMNA
SCHEMBL217153 0.84 SOAT1 (0.40) TP53FPR1ALDH1A1KDM4EMAPT
SCHEMBL214895 0.83 MAPT (0.41) TP53ALDH1A1KDM4EMAPTMEN1
SCHEMBL213526 0.82 SMN1; SMN2 (0.45) TP53ALDH1A1KDM4EMAPTKMT2A
SCHEMBL214714 0.82 MAPT (0.44) TP53ALDH1A1KDM4EMAPTMEN1
SCHEMBL214739 0.82 KMT2A (0.48) TP53ALDH1A1KDM4EMAPTMEN1
SCHEMBL213248 0.82 LCK (0.41) ALDH1A1KDM4EMAPTMEN1KMT2A
SCHEMBL215595 0.82 ALDH1A1 (0.46) TP53ALDH1A1KDM4EMAPTMEN1

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 TP53 1743/4885FPR1 2163/4885ALDH1A1 4295/4885

“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.