SCHEMBL20550702

SCHEMBL20550702

c1cnc(-c2cccc(-c3nccs3)c2)nc1

nearest known ligand 0.60

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PDPK1 O15530 1/20 0.60
CYP2A6 P11509 1/20 0.53
LOXL2 Q9Y4K0 1/20 0.49
KAT6A Q92794 1/20 0.45
CLK4 Q9HAZ1 2/20 0.44
DYRK1A Q13627 1/20 0.44
CYP19A1 P11511 3/20 0.43
PTGDR2 Q9Y5Y4 1/20 0.43
HDAC2 Q92769 1/20 0.42
FFAR1 O14842 1/20 0.41
ADRB2 P07550 1/20 0.41
SMPD3 Q9NY59 1/20 0.40
PRKDC P78527 1/20 0.39
KDR P35968 1/20 0.39
METAP1 P53582 1/20 0.39
NTRK1 P04629 1/20 0.39

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
SCHEMBL15805858 0.90 PDPK1 (0.72) PDPK1CYP2A6LOXL2KAT6APTGDR2
SCHEMBL16159287 0.86 PDPK1 (0.67) PDPK1CYP2A6LOXL2KAT6APTGDR2
SCHEMBL4425765 0.83 PDPK1 (0.74) PDPK1CYP2A6LOXL2KAT6APTGDR2
SCHEMBL22130295 0.82 PDPK1 (0.67) PDPK1CYP2A6LOXL2CLK4HDAC2
SCHEMBL30060874 0.80 PDPK1 (0.58) PDPK1CYP2A6LOXL2KAT6APTGDR2
SCHEMBL16159315 0.80 PDPK1 (0.58) PDPK1CYP2A6LOXL2KAT6ACYP19A1
SCHEMBL14961829 0.79 CLK4 (0.61) CYP2A6KAT6ACLK4DYRK1ACYP19A1
SCHEMBL12794006 0.79 GP6 (0.58) PDPK1CYP2A6
SCHEMBL16159534 0.79 PDPK1 (0.61) PDPK1CYP2A6LOXL2KAT6APTGDR2
SCHEMBL16159295 0.79 PDPK1 (0.61) PDPK1CYP2A6LOXL2KAT6APTGDR2

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-10414759-B2 Phenylthiazoles and uses thereof PURDUE RESEARCH FOUNDATION (US) 2019-09-17 US disclosed
US-20180319784-A1 PHENYLTHIAZOLES AND USES THEREOF PURDUE RESEARCH FOUNDATION (US) 2018-11-08 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 (2 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-20180319784-A1 PHENYLTHIAZOLES AND USES THEREOF TPMT, TST, CLPP PDPK1 1592/4885CYP2A6 1175/4885LOXL2 1206/4885
US-10414759-B2 Phenylthiazoles and uses thereof TPMT, TST, CLPP PDPK1 1403/4885CYP2A6 1311/4885LOXL2 999/4885

“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.