SCHEMBL797194

SCHEMBL797194

O=C(NNc1cnc2ccc(Br)cc2n1)C1CC1

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 5/20 0.51
PDGFRB P09619 3/20 0.41
PDGFRA P16234 3/20 0.41
CYP1A2 P05177 1/20 0.40
GAA P10253 1/20 0.40
CYP2C19 P33261 1/20 0.40
JAK2 O60674 1/20 0.38
HCAR2 Q8TDS4 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37
ADORA2A P29274 1/20 0.37
ADORA2B P29275 1/20 0.37
HPGD P15428 1/20 0.37
GSK3B P49841 1/20 0.37
HDAC4 P56524 1/20 0.36
PIM1 P11309 1/20 0.36
PIM2 Q9P1W9 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
SCHEMBL807840 0.93 ABL1 (0.44) ABL1PDGFRBPDGFRACYP1A2GAA
SCHEMBL27904307 0.89 ABL1 (0.41) ABL1PDGFRBPDGFRAHCAR2HDAC4
SCHEMBL797117 0.84 KMT2A (0.47) ABL1HPGD
SCHEMBL808070 0.74 PDGFRB (0.39) PDGFRBPDGFRACYP1A2CYP2C19
SCHEMBL28750182 0.74 ABL1 (0.44) ABL1JAK2HPGDHDAC4
SCHEMBL15133612 0.73 CA1 (0.39) ABL1GAAHDAC4PIM1
SCHEMBL20374557 0.71 USP30 (0.38) HCAR2
SCHEMBL2621758 0.71 PDGFRB (0.61) PDGFRBPDGFRA
SCHEMBL4541208 0.71 ABL1 (0.60) ABL1JAK2HPGDGSK3B
SCHEMBL21541896 0.71 HTT (0.32) HCAR2HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9181264-B2 Fused heteroaryls and their uses HUTCHISON MEDIPHARMA LIMITED (CN) 2015-11-10 US disclosed
US-9181264-B2 Fused heteroaryls and their uses HUTCHISON MEDIPHARMA LIMITED (CN) 2015-11-10 US disclosed
US-9181264-B2 Fused heteroaryls and their uses HUTCHISON MEDIPHARMA LIMITED (CN) 2015-11-10 US disclosed
US-20130190307-A1 FUSED HETEROARYLS AND THEIR USES HUTCHISON MEDIPHARMA LIMITED (CN) 2013-07-25 US disclosed
US-20130190307-A1 FUSED HETEROARYLS AND THEIR USES HUTCHISON MEDIPHARMA LIMITED (CN) 2013-07-25 US disclosed
US-20130190307-A1 FUSED HETEROARYLS AND THEIR USES HUTCHISON MEDIPHARMA LIMITED (CN) 2013-07-25 US disclosed
EP-2616468-A1 FUSED HETEROARYLS AND THEIR USES Hutchison Medipharma Limited (CN) 2013-07-24 EP disclosed
CN-103124731-A Fused heteroaryl compounds and uses thereof HUTCHISON MEDIPHARMA LTD 2013-05-29 CN disclosed
WO-2012034526-A1 FUSED HETEROARYLS AND THEIR USES HUTCHISON MEDIPHARMA LIMITED (CN) 2012-03-22 WO disclosed
WO-2012034526-A1 FUSED HETEROARYLS AND THEIR USES HUTCHISON MEDIPHARMA LIMITED (CN) 2012-03-22 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-20130190307-A1 FUSED HETEROARYLS AND THEIR USES FARS2, TIAL1, DHFR ABL1 837/4885PDGFRB 2066/4885PDGFRA 2425/4885

“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.