SCHEMBL18410126

SCHEMBL18410126

COc1ccccc1-c1c(C)sc2cnc(Nc3cnn(C4CCN(C(=O)OC(C)(C)C)CC4)c3)nc12

nearest known ligand 0.65

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ ALK Q9UM73 9/20 0.65
▸ JAK2 O60674 3/20 0.51
▸ JAK3 P52333 3/20 0.51
▸ PTK2 Q05397 2/20 0.51
▸ IGF1R P08069 2/20 0.45
▸ TTK P33981 2/20 0.44
▸ DDB1 Q16531 1/20 0.43
▸ CRBN Q96SW2 1/20 0.43
▸ MERTK Q12866 1/20 0.42
▸ JAK1 P23458 2/20 0.42
▸ EGFR P00533 1/20 0.42
▸ TYK2 P29597 1/20 0.41

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
SCHEMBL18410129 0.92 ALK (0.57) ALKJAK2JAK3PTK2IGF1R
SCHEMBL30433805 0.92 ALK (0.57) ALKJAK2JAK3PTK2IGF1R
SCHEMBL20412675 0.92 ALK (0.56) ALKJAK2JAK3PTK2IGF1R
SCHEMBL18410124 0.90 ALK (0.60) ALKJAK2JAK3PTK2IGF1R
SCHEMBL18410133 0.89 JAK3 (0.54) ALKJAK2JAK3PTK2TTK
SCHEMBL20429850 0.89 ALK (0.54) ALKJAK2JAK3PTK2IGF1R
SCHEMBL18410076 0.86 ALK (0.53) ALKJAK2JAK3PTK2IGF1R
SCHEMBL18410123 0.86 JAK3 (0.54) ALKJAK2JAK3PTK2IGF1R
SCHEMBL18410125 0.86 ALK (0.51) ALKJAK2JAK3PTK2IGF1R
SCHEMBL18410203 0.85 ALK (0.64) ALKJAK2JAK3PTK2JAK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10494378-B2 Fused ring pyrimidine compound, intermediate, and preparation method, composition and use thereof GUANGZHOU MAXINOVEL PHARMACEUTICALS CO., LTD. (CN) 2019-12-03 — — US disclosed
EP-3354653-B1 FUSED RING PYRIMIDINE COMPOUND, INTERMEDIATE, AND PREPARATION METHOD, COMPOSITION AND USE THEREOF GUANGZHOU MAXINOVEL PHARMACEUTICALS CO LTD (CN) 2019-09-04 — — EP disclosed
EP-3354653-A1 FUSED RING PYRIMIDINE COMPOUND, INTERMEDIATE, AND PREPARATION METHOD, COMPOSITION AND USE THEREOF Guangzhou Maxinovel Pharmaceuticals Co. Ltd. (CN) 2018-08-01 — — EP disclosed
US-20180208604-A1 FUSED RING PYRIMIDINE COMPOUND, INTERMEDIATE, AND PREPARATION METHOD, COMPOSITION AND USE THEREOF GUANGZHOU MAXINOVEL PHARMACEUTICALS CO., LTD. (CN) 2018-07-26 — — US disclosed
US-20180208604-A1 FUSED RING PYRIMIDINE COMPOUND, INTERMEDIATE, AND PREPARATION METHOD, COMPOSITION AND USE THEREOF GUANGZHOU MAXINOVEL PHARMACEUTICALS CO., LTD. (CN) 2018-07-26 — — US disclosed
WO-2017012559-A1 FUSED RING PYRIMIDINE COMPOUND, INTERMEDIATE, AND PREPARATION METHOD, COMPOSITION AND USE THEREOF 广州再极医药科技有限公司 2017-01-26 — — WO 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-20180208604-A1 FUSED RING PYRIMIDINE COMPOUND, INTERMEDIATE, AND PREPARATION METHOD, COMPOSITION AND USE THEREOF FLT3, FGFR1, FGFR3 ALK 39/4885JAK2 9/4885JAK3 22/4885
US-10494378-B2 Fused ring pyrimidine compound, intermediate, and preparation method, composition and use thereof FLT3, FGFR1, FGFR3 ALK 39/4885JAK2 9/4885JAK3 22/4885

“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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