SCHEMBL214872

SCHEMBL214872

CCc1ccccc1NC(=O)c1ncn(-c2nc3ccccc3[nH]2)c1C(N)=O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.42
HSD17B10 Q99714 3/20 0.41
CYP3A4 P08684 3/20 0.41
CYP1A2 P05177 2/20 0.41
KDM4E B2RXH2 4/20 0.40
ALDH1A1 P00352 3/20 0.40
POLB P06746 1/20 0.40
HPGD P15428 1/20 0.40
CYP2C19 P33261 1/20 0.40
KMT2A Q03164 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
TP53 P04637 1/20 0.39
NPC1 O15118 1/20 0.39
PKM P14618 1/20 0.39
RAB9A P51151 1/20 0.39
KLF5 Q13887 1/20 0.39
HDAC1 Q13547 1/20 0.38
CFTR P13569 1/20 0.38
CACNA1G O43497 1/20 0.37
LMNA P02545 1/20 0.37

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
SCHEMBL215043 0.94 KDM4E (0.38) MAPTHSD17B10CYP3A4CYP1A2KDM4E
SCHEMBL214164 0.92 ALDH1A1 (0.38) MAPTHSD17B10CYP3A4CYP1A2KDM4E
SCHEMBL212932 0.91 PIK3CD (0.36) MAPTHSD17B10CYP3A4CYP1A2KDM4E
SCHEMBL214714 0.88 MAPT (0.44) MAPTHSD17B10CYP3A4CYP1A2KDM4E
SCHEMBL213795 0.88 HSD17B10 (0.49) MAPTHSD17B10KDM4EALDH1A1POLB
SCHEMBL214646 0.86 EPHB3 (0.44) MAPTCYP3A4KDM4EALDH1A1POLB
SCHEMBL214272 0.86 KDM4E (0.39) MAPTCYP3A4CYP1A2KDM4EALDH1A1
SCHEMBL216074 0.86 KDM4E (0.43) MAPTCYP3A4KDM4EALDH1A1POLB
SCHEMBL215595 0.86 ALDH1A1 (0.46) MAPTHSD17B10CYP3A4CYP1A2KDM4E
SCHEMBL213503 0.86 STK33 (0.39) MAPTCYP3A4CYP1A2KDM4EALDH1A1

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 MAPT 2138/4885HSD17B10 3514/4885CYP3A4 3666/4885

“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.