SCHEMBL21903813

SCHEMBL21903813

COc1ccc(CNc2ncc(CO)c3c2c(-c2ccc(C(=O)Nc4ccccc4)cc2)nn3[C@@H]2CCCN(C(=O)O)C2)c(OC)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ BTK Q06187 8/20 0.43
▸ ITK Q08881 5/20 0.43
▸ NAMPT P43490 1/20 0.39
▸ CYP1A2 P05177 2/20 0.38
▸ CYP3A4 P08684 2/20 0.38
▸ CYP2C19 P33261 2/20 0.38
▸ HSD17B10 Q99714 2/20 0.38
▸ KDM4E B2RXH2 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ CYP2C9 P11712 1/20 0.38
▸ HPGD P15428 1/20 0.38
▸ ALOX15 P16050 1/20 0.38
▸ TSHR P16473 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ HIF1A Q16665 1/20 0.38
▸ CYP2D6 P10635 1/20 0.38
▸ MAPK1 P28482 1/20 0.38
▸ DHODH Q02127 2/20 0.38
▸ MAPT P10636 1/20 0.38
▸ EGFR P00533 1/20 0.37

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
SCHEMBL21903816 1.00 BTK (0.43) BTKITKNAMPTCYP1A2CYP3A4
SCHEMBL21903709 0.93 BTK (0.44) BTKITKNAMPTCYP1A2CYP3A4
SCHEMBL21903712 0.93 BTK (0.44) BTKITKNAMPTCYP1A2CYP3A4
SCHEMBL31684277 0.93 ITK (0.41) BTKITKNAMPTCYP1A2CYP3A4
SCHEMBL21965633 0.93 ITK (0.41) BTKITKNAMPTCYP1A2CYP3A4
SCHEMBL21903539 0.93 BTK (0.45) BTKITKNAMPTDHODHEGFR
SCHEMBL21903550 0.93 BTK (0.45) BTKITKNAMPTDHODHEGFR
SCHEMBL21903831 0.93 BTK (0.45) BTKITKNAMPTEGFR
SCHEMBL21903833 0.93 BTK (0.45) BTKITKNAMPTEGFR
SCHEMBL21903759 0.93 BTK (0.43) BTKITKNAMPTCYP1A2CYP3A4

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-11180496-B2 1H-pyrazolopyridine derivative and pharmaceutical composition comprising the same DAEWOONG PHARMACEUTICAL CO., LTD. (KR) 2021-11-23 — — US disclosed
EP-3653626-A1 NOVEL 1H-PYRAZOLOPYRIDINE DERIVATIVE AND PHARMACEUTICAL COMPOSITION CONTAINING SAME Daewoong Pharmaceutical Co., Ltd. (KR) 2020-05-20 — — EP disclosed
US-20200140432-A1 NOVEL 1H-PYRAZOLOPYRIDINE DERIVATIVE AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME DAEWOONG PHARMACEUTICAL CO., LTD. (KR) 2020-05-07 — — US disclosed
CN-110914266-A Novel 1H-pyrazolopyridine derivative and pharmaceutical composition comprising the same 株式会社大熊制药 2020-03-24 — — CN 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 BTK 1236/4885ITK 409/4885NAMPT 1282/4885
US-20200140432-A1 NOVEL 1H-PYRAZOLOPYRIDINE DERIVATIVE AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME PDCD11, G6PC1, PPM1D BTK 1744/4885ITK 638/4885NAMPT 1168/4885

“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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