SCHEMBL1298532

SCHEMBL1298532

O=C(c1ccc(F)cc1)c1nc(Nc2cnccn2)n2cccc2n1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.40
ALDH1A1 P00352 4/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
POLB P06746 2/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
CDK5 Q00535 2/20 0.36
CDK5R1 Q15078 2/20 0.36
LMNA P02545 1/20 0.35
KDM4E B2RXH2 3/20 0.35
HPGD P15428 2/20 0.35
LTA4H P09960 1/20 0.35
CSNK1D P48730 4/20 0.34
CSNK1E P49674 4/20 0.34
CXCR4 P61073 1/20 0.34
MAPT P10636 1/20 0.34
CYP11B1 P15538 1/20 0.34
CYP11B2 P19099 1/20 0.34
HKDC1 Q2TB90 1/20 0.34
NAMPT P43490 1/20 0.34

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
SCHEMBL1298181 0.80 CSNK1D (0.39) KMT2AALDH1A1SMN1; SMN2POLBNPC1
SCHEMBL1298653 0.79 MEN1 (0.40) KMT2AALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL1298811 0.79 NPC1 (0.44) KMT2AALDH1A1SMN1; SMN2POLBNPC1
SCHEMBL1298990 0.78 PIK3CA (0.38) ALDH1A1SMN1; SMN2POLBNPC1RAB9A
SCHEMBL1298726 0.78 AURKA (0.50)
SCHEMBL1298924 0.75 GAK (0.35) KMT2AALDH1A1SMN1; SMN2POLBNPC1
SCHEMBL1298676 0.75 IGF1R (0.44)
SCHEMBL12102360 0.74 TGFBR1 (0.49)
SCHEMBL1298862 0.73 IGF1R (0.42)
SCHEMBL1298321 0.72 SMN1; SMN2 (0.44) ALDH1A1SMN1; SMN2POLBNPC1RAB9A

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-20110269740-A1 JAK KINASE MODULATING COMPOUNDS AND METHODS OF USE THEREOF AMBIT BIOSCIENCES CORPORATION 2011-11-03 US claimed
WO-2010002472-A1 JAK KINASE MODULATING COMPOUNDS AND METHODS OF USE THEREOF AMBIT BIOSCIENCES CORPORATION (US) 2010-01-07 WO claimed
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 KMT2A 854/4885ALDH1A1 4263/4885SMN1; SMN2 4351/4885

“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.