SCHEMBL21903836

SCHEMBL21903836

Nc1nccc2c1c(-c1ccc(NC(=O)c3ccccc3)cc1)nn2C1CCCNC1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDR P35968 2/20 0.46
▸ F10 P00742 1/20 0.46
▸ BTK Q06187 9/20 0.43
▸ RET P07949 3/20 0.42
▸ ROCK2 O75116 2/20 0.41
▸ ROCK1 Q13464 2/20 0.41
▸ ITK Q08881 4/20 0.41
▸ ACP1 P24666 1/20 0.40
▸ EGFR P00533 2/20 0.40
▸ PLK4 O00444 1/20 0.39
▸ AURKA O14965 1/20 0.39
▸ MAPK13 O15264 1/20 0.39
▸ RPS6KA5 O75582 1/20 0.39
▸ PRKD3 O94806 1/20 0.39
▸ MAP4K4 O95819 1/20 0.39
▸ PAK4 O96013 1/20 0.39
▸ CHEK2 O96017 1/20 0.39
▸ ERBB2 P04626 1/20 0.39
▸ NTRK1 P04629 1/20 0.39
▸ INSR P06213 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
SCHEMBL21903619 0.97 BTK (0.44) KDRF10BTKRETROCK2
SCHEMBL21903622 0.97 BTK (0.44) KDRF10BTKRETROCK2
SCHEMBL21903685 0.95 KDR (0.47) KDRF10BTKRETROCK2
SCHEMBL31684291 0.91 ROCK2 (0.44) KDRBTKRETROCK2ROCK1
SCHEMBL21903773 0.91 ROCK2 (0.44) KDRBTKRETROCK2ROCK1
SCHEMBL21903684 0.91 ROCK2 (0.44) KDRBTKRETROCK2ROCK1
SCHEMBL21903683 0.88 BTK (0.54) BTKERBB2ERBB4
SCHEMBL21903745 0.88 BTK (0.54) BTKERBB2ERBB4
SCHEMBL21903688 0.88 BTK (0.54) BTKERBB2ERBB4
SCHEMBL21903576 0.85 F10 (0.43) KDRF10BTKRETROCK2

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-11180496-B2 1H-pyrazolopyridine derivative and pharmaceutical composition comprising the same DAEWOONG PHARMACEUTICAL CO., LTD. (KR) 2021-11-23 — — US disclosed
US-20200140432-A1 NOVEL 1H-PYRAZOLOPYRIDINE DERIVATIVE AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME DAEWOONG PHARMACEUTICAL CO., LTD. (KR) 2020-05-07 — — 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-11180496-B2 1H-pyrazolopyridine derivative and pharmaceutical composition comprising the same PDCD11, DPYD, G6PC1 KDR 4166/4885F10 3239/4885BTK 1236/4885
US-20200140432-A1 NOVEL 1H-PYRAZOLOPYRIDINE DERIVATIVE AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME PDCD11, G6PC1, PPM1D KDR 4282/4885F10 3121/4885BTK 1744/4885

“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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