SCHEMBL1298321

SCHEMBL1298321

O=C(c1ccc(F)cc1)c1nc(Cl)n2cccc2n1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.44
KDM4E B2RXH2 6/20 0.40
NPC1 O15118 4/20 0.40
RAB9A P51151 4/20 0.40
ALDH1A1 P00352 5/20 0.39
HPGD P15428 1/20 0.39
MAPT P10636 2/20 0.39
PKM P14618 1/20 0.39
CASP3 P42574 1/20 0.39
SENP8 Q96LD8 1/20 0.39
SENP7 Q9BQF6 1/20 0.39
SENP6 Q9GZR1 1/20 0.39
POLB P06746 2/20 0.38
LTA4H P09960 1/20 0.38
LMNA P02545 1/20 0.38
HTT P42858 1/20 0.38
TDP1 Q9NUW8 1/20 0.37
CDK2 P24941 1/20 0.36

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
SCHEMBL1298531 0.85 KMT2A (0.46) SMN1; SMN2NPC1RAB9AALDH1A1MAPT
SCHEMBL1299131 0.77 PTGS1 (0.45) SMN1; SMN2KDM4ENPC1RAB9AALDH1A1
SCHEMBL1298360 0.77 LTA4H (0.40) SMN1; SMN2KDM4ENPC1RAB9AALDH1A1
SCHEMBL1298482 0.77 KCNK3 (0.47) SMN1; SMN2NPC1RAB9APKMLMNA
SCHEMBL1298990 0.75 PIK3CA (0.38) SMN1; SMN2KDM4ENPC1RAB9AALDH1A1
SCHEMBL1298812 0.75 CNR2 (0.44) SMN1; SMN2RAB9AMAPTLMNACDK2
SCHEMBL1298938 0.74 KMT2A (0.44) KDM4ENPC1RAB9AALDH1A1HPGD
SCHEMBL1298181 0.73 CSNK1D (0.39) SMN1; SMN2KDM4ENPC1RAB9AALDH1A1
SCHEMBL1298532 0.72 KMT2A (0.40) SMN1; SMN2KDM4ENPC1RAB9AALDH1A1
SCHEMBL1298811 0.72 NPC1 (0.44) SMN1; SMN2KDM4ENPC1RAB9AALDH1A1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110269740-A1 JAK KINASE MODULATING COMPOUNDS AND METHODS OF USE THEREOF AMBIT BIOSCIENCES CORPORATION 2011-11-03 US disclosed
WO-2010002472-A1 JAK KINASE MODULATING COMPOUNDS AND METHODS OF USE THEREOF AMBIT BIOSCIENCES CORPORATION (US) 2010-01-07 WO 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-20110269740-A1 JAK KINASE MODULATING COMPOUNDS AND METHODS OF USE THEREOF JAK2, JAK1, JAK3 SMN1; SMN2 4351/4885KDM4E 1049/4885NPC1 3678/4885

“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.