SCHEMBL13405529

SCHEMBL13405529

NCC(=O)Nc1cc(Nc2nc3ccccc3nc2C(N)=O)ccc1N1CCOCC1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PIM1 P11309 1/20 0.52
▸ MOK Q9UQ07 2/20 0.45
▸ TSHR P16473 3/20 0.45
▸ KDM4E B2RXH2 1/20 0.45
▸ HPGD P15428 1/20 0.45
▸ MAPK10 P53779 5/20 0.44
▸ MAPK9 P45984 4/20 0.44
▸ LMNA P02545 2/20 0.43
▸ HSD17B10 Q99714 1/20 0.43
▸ ALDH1A1 P00352 3/20 0.43
▸ GAA P10253 1/20 0.43
▸ RET P07949 1/20 0.43
▸ ROS1 P08922 1/20 0.43
▸ FLT3 P36888 1/20 0.43
▸ EML4 Q9HC35 1/20 0.43
▸ ALK Q9UM73 1/20 0.43
▸ NPSR1 Q6W5P4 3/20 0.42
▸ TP53 P04637 2/20 0.42
▸ MAPT P10636 2/20 0.42
▸ MAPK1 P28482 2/20 0.42

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
SCHEMBL13405530 0.85 HTT (0.52) PIM1TSHRKDM4ELMNAHSD17B10
SCHEMBL13405532 0.85 PIM1 (0.49) PIM1TSHRKDM4EMAPK10MAPK9
SCHEMBL13405525 0.84 PIM1 (0.58) PIM1MOKMAPK10MAPK9RET
SCHEMBL13405516 0.84 PIM1 (0.58) PIM1TSHRHPGDMAPK10MAPK9
SCHEMBL13405534 0.83 PIM1 (0.55) PIM1MOKMAPK10MAPK9RET
SCHEMBL13683355 0.83 PIM1 (0.55) PIM1MOKMAPK10MAPK9RET
SCHEMBL13405531 0.83 SMN1; SMN2 (0.58) PIM1TSHRKDM4ELMNAALDH1A1
SCHEMBL13405517 0.83 PIM1 (0.57) PIM1TSHRHPGDMAPK10MAPK9
SCHEMBL13405515 0.80 EML4 (0.51) PIM1MOKTSHRKDM4EHPGD
SCHEMBL13405487 0.80 ALDH1A1 (0.54) PIM1TSHRKDM4EHPGDMAPK10

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-20100081657-A1 QUINOXALINES USEFUL AS INHIBITORS OF PROTEIN KINASES VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-04-01 — — US disclosed
US-20100081657-A1 QUINOXALINES USEFUL AS INHIBITORS OF PROTEIN KINASES VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-04-01 — — US disclosed
US-7592340-B2 Quinoxalines useful as inhibitors of protein kinases VERTEX PHARMACEUTICALS INCORPORATED (US) 2009-09-22 — — US disclosed
US-7592340-B2 Quinoxalines useful as inhibitors of protein kinases VERTEX PHARMACEUTICALS INCORPORATED (US) 2009-09-22 — — 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 (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-20100081657-A1 QUINOXALINES USEFUL AS INHIBITORS OF PROTEIN KINASES MAP3K20, MAP4K2, MAP3K5 PIM1 554/4885MOK 160/4885TSHR 4512/4885

“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.

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