SCHEMBL21903703

SCHEMBL21903703

COc1ccc(CNc2nccc3c2c(I)nn3C2CN(C(=O)OC(C)(C)C)C2)c(OC)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 5/20 0.38
▸ CYP3A4 P08684 5/20 0.38
▸ CYP2C19 P33261 5/20 0.38
▸ TSHR P16473 4/20 0.38
▸ USP2 O75604 2/20 0.38
▸ ALDH1A1 P00352 2/20 0.38
▸ EPHX2 P34913 1/20 0.38
▸ P2RX3 P56373 1/20 0.38
▸ BTK Q06187 1/20 0.38
▸ MAPT P10636 2/20 0.37
▸ KDM4C Q9H3R0 1/20 0.37
▸ CYP2D6 P10635 4/20 0.37
▸ CLK4 Q9HAZ1 2/20 0.37
▸ STS P08842 1/20 0.37
▸ CYP2C9 P11712 1/20 0.37
▸ PDE9A O76083 2/20 0.36
▸ KMT2A Q03164 2/20 0.36
▸ LMNA P02545 1/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ NPC1 O15118 1/20 0.36

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
SCHEMBL31125791 0.93 BTK (0.41) TSHREPHX2P2RX3BTKMAPT
SCHEMBL25649309 0.93 BTK (0.41) TSHREPHX2P2RX3BTKMAPT
SCHEMBL21903794 0.91 CYP1A2 (0.38) CYP1A2CYP3A4CYP2C19TSHRUSP2
SCHEMBL30813465 0.88 RET (0.40) CYP1A2CYP3A4CYP2C19TSHRUSP2
SCHEMBL22902838 0.87 CYP1A2 (0.38) CYP1A2CYP3A4CYP2C19TSHRUSP2
SCHEMBL22902474 0.85 CYP1A2 (0.40) CYP1A2CYP3A4CYP2C19TSHRUSP2
SCHEMBL20645567 0.84 BTK (0.41) TSHRALDH1A1EPHX2P2RX3BTK
SCHEMBL24651144 0.84 NPC1 (0.43) CYP1A2CYP3A4CYP2C19TSHRUSP2
SCHEMBL30497632 0.84 KMT2A (0.42) TSHRALDH1A1BTKMAPTKDM4C
SCHEMBL25230106 0.84 KMT2A (0.42) TSHRALDH1A1BTKMAPTKDM4C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 (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-20200140432-A1 NOVEL 1H-PYRAZOLOPYRIDINE DERIVATIVE AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME PDCD11, G6PC1, PPM1D CYP1A2 722/4885CYP3A4 408/4885CYP2C19 924/4885

“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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