SCHEMBL21799098

SCHEMBL21799098

COc1cnc(Nc2ccc(C(=O)Nc3cc(CN4CCN(C)CC4)ccc3C)cc2)nc1-c1ccc(C#N)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AXL P30530 1/20 0.51
ABL1 P00519 10/20 0.51
KIT P10721 9/20 0.51
BCR P11274 4/20 0.51
ABL2 P42684 6/20 0.51
PDGFRA P16234 2/20 0.51
EGFR P00533 2/20 0.51
LCK P06239 2/20 0.51
CSF1R P07333 2/20 0.51
KDR P35968 2/20 0.51
MAPK14 Q16539 2/20 0.51
PLK4 O00444 1/20 0.51
DDX3X O00571 1/20 0.51
GAK O14976 1/20 0.51
SLC22A2 O15244 1/20 0.51
MAPK13 O15264 1/20 0.51
CA12 O43570 1/20 0.51
SLC22A3 O75751 1/20 0.51
ABCB11 O95342 1/20 0.51
CA1 P00915 1/20 0.51

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
SCHEMBL30530302 1.00 AXL (0.51) AXLABL1KITBCRABL2
SCHEMBL20191208 0.92 JAK2 (0.58) LCKKDRMAPK14JAK2JAK3
SCHEMBL21799050 0.89 ABL1 (0.52) AXLABL1KITBCRABL2
SCHEMBL30114643 0.89 ABL1 (0.52) AXLABL1KITBCRABL2
SCHEMBL20188193 0.88 ABL1 (0.52) AXLABL1KITBCRABL2
SCHEMBL21799069 0.86 JAK2 (0.47) ABL1BCRKDRMAPK14DDR1
SCHEMBL30530282 0.86 JAK2 (0.47) ABL1BCRKDRMAPK14DDR1
SCHEMBL30530281 0.84 ABL1 (0.53) ABL1KITBCRABL2ABCB1
SCHEMBL20191064 0.84 ABL1 (0.52) AXLABL1KITBCRABL2
SCHEMBL20188567 0.84 ABL1 (0.53) ABL1KITBCRABL2ABCB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3544685-B1 HETROARYLAMINE COMPOUNDS FOR MODULATING THE HEDGEHOG PATHWAY AND PREPARING METHOD AND USES THEREOF DEV CT BIOTECHNOLOGY (TW) 2023-01-04 EP claimed
US-10793542-B2 Hetroarylamine compounds for modulating the hedgehog pathway and preparing method and uses thereof DEVELOPMENT CENTER FOR BIOTECHNOLOGY (TW) 2020-10-06 US claimed
US-20200079753-A1 HETROARYLAMINE COMPOUNDS FOR MODULATING THE HEDGEHOG PATHWAY AND PREPARING METHOD AND USES THEREOF DEVELOPMENT CENTER FOR BIOTECHNOLOGY (TW) 2020-03-12 US claimed
EP-3544685-B1 HETROARYLAMINE COMPOUNDS FOR MODULATING THE HEDGEHOG PATHWAY AND PREPARING METHOD AND USES THEREOF DEV CT BIOTECHNOLOGY (TW) 2023-01-04 EP disclosed
US-10793542-B2 Hetroarylamine compounds for modulating the hedgehog pathway and preparing method and uses thereof DEVELOPMENT CENTER FOR BIOTECHNOLOGY (TW) 2020-10-06 US disclosed
US-10793542-B2 Hetroarylamine compounds for modulating the hedgehog pathway and preparing method and uses thereof DEVELOPMENT CENTER FOR BIOTECHNOLOGY (TW) 2020-10-06 US disclosed
US-20200079753-A1 HETROARYLAMINE COMPOUNDS FOR MODULATING THE HEDGEHOG PATHWAY AND PREPARING METHOD AND USES THEREOF DEVELOPMENT CENTER FOR BIOTECHNOLOGY (TW) 2020-03-12 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-20200079753-A1 HETROARYLAMINE COMPOUNDS FOR MODULATING THE HEDGEHOG PATHWAY AND PREPARING METHOD AND USES THEREOF SHH, GLI1, SMO AXL 3560/4885ABL1 1218/4885KIT 274/4885
US-10793542-B2 Hetroarylamine compounds for modulating the hedgehog pathway and preparing method and uses thereof SHH, GLI1, NR1H4 AXL 2218/4885ABL1 1395/4885KIT 127/4885

“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.