SCHEMBL216013

SCHEMBL216013

Cc1nc(NC(=O)c2[nH]cnc2C(=O)Nc2c(F)cccc2Cl)[nH]c1C

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.45
KMT2A Q03164 4/20 0.45
KDM4E B2RXH2 4/20 0.45
MAPT P10636 3/20 0.45
MEN1 O00255 3/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
GAA P10253 3/20 0.40
HPGD P15428 2/20 0.40
CYP1A2 P05177 1/20 0.40
TDP1 Q9NUW8 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
PTGES O14684 1/20 0.38
NTSR1 P30989 1/20 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
SCHEMBL214721 0.93 ALDH1A1 (0.49) ALDH1A1KMT2AKDM4EMAPTMEN1
SCHEMBL2735316 0.87 KMT2A (0.53) ALDH1A1KMT2AKDM4EMAPTMEN1
SCHEMBL2735347 0.83 NPC1 (0.53) ALDH1A1KMT2AKDM4EMEN1SMN1; SMN2
SCHEMBL2735357 0.81 IRAK4 (0.46) ALDH1A1KMT2AKDM4EMAPTMEN1
SCHEMBL14222689 0.78 ALDH1A1 (0.44) ALDH1A1KMT2AKDM4EMAPTMEN1
SCHEMBL2759975 0.76 SMN1; SMN2 (0.50) ALDH1A1KMT2AKDM4EMAPTMEN1
SCHEMBL2759984 0.76 NPC1 (0.53) ALDH1A1KMT2AKDM4EMAPTMEN1
SCHEMBL2735343 0.76 NPC1 (0.58) ALDH1A1KMT2AKDM4EMEN1SMN1; SMN2
SCHEMBL2735344 0.76 NPC1 (0.52) ALDH1A1KMT2AKDM4EMEN1SMN1; SMN2
SCHEMBL216639 0.75 MAPT (0.46) ALDH1A1KMT2AKDM4EMAPTMEN1

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 6 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 disclosed
US-8088767-B2 JAK-2 modulators and methods of use EXELIXIS, INC. (US) 2012-01-03 US disclosed
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
US-20100136136-A1 JAK-2 Modulators and Methods of Use EXELIXIS, INC. (US) 2010-06-03 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 ALDH1A1 4295/4885KMT2A 437/4885KDM4E 952/4885

“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.