SCHEMBL29754179

SCHEMBL29754179

Fc1cc(Br)ccc1NCn1nnc2ccccc21

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HSD17B10 Q99714 2/20 0.49
▸ KDM4E B2RXH2 1/20 0.49
▸ TP53 P04637 1/20 0.49
▸ TSHR P16473 1/20 0.49
▸ RPS6KA3 P51812 1/20 0.49
▸ CYP1A2 P05177 2/20 0.47
▸ CYP2C9 P11712 2/20 0.47
▸ CYP2C19 P33261 2/20 0.47
▸ POLB P06746 1/20 0.47
▸ MGAM O43451 2/20 0.46
▸ AMY1A P0DUB6 2/20 0.46
▸ GAA P10253 2/20 0.46
▸ SI P14410 2/20 0.46
▸ MGAM2 Q2M2H8 2/20 0.46
▸ ALDH1A1 P00352 4/20 0.46
▸ RAB9A P51151 2/20 0.46
▸ SLC9A1 P19634 3/20 0.44
▸ PTK2 Q05397 5/20 0.44
▸ GRM2 Q14416 3/20 0.42
▸ L3MBTL1 Q9Y468 1/20 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
SCHEMBL22546088 1.00 HSD17B10 (0.49) HSD17B10KDM4ETP53TSHRRPS6KA3
SCHEMBL7269557 0.80 RPS6KA3 (0.52) HSD17B10TSHRRPS6KA3CYP1A2CYP2C9
SCHEMBL2490332 0.78 GRM2 (0.52) HSD17B10KDM4ERPS6KA3CYP1A2CYP2C9
SCHEMBL1890494 0.77 RPS6KA3 (0.45) HSD17B10RPS6KA3CYP1A2CYP2C9CYP2C19
SCHEMBL2491842 0.73 GAA (0.63) HSD17B10TP53RPS6KA3CYP1A2CYP2C9
SCHEMBL9618157 0.72 RPS6KA3 (0.84) TSHRRPS6KA3CYP1A2CYP2C9CYP2C19
SCHEMBL2490331 0.72 RPS6KA3 (0.60) RPS6KA3CYP1A2CYP2C9CYP2C19POLB
SCHEMBL2488627 0.72 CYP1A2 (0.59) RPS6KA3CYP1A2CYP2C9CYP2C19POLB
SCHEMBL27873758 0.72 RPS6KA3 (0.64) KDM4ERPS6KA3CYP1A2CYP2C9CYP2C19
SCHEMBL3403852 0.71 SLC9A1 (0.63) TSHRRPS6KA3CYP1A2CYP2C9CYP2C19

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
CN-118702683-A Phenyl ethers and anilines of pyrazolyl-amino-pyrimidinyl derivatives, compositions and methods thereof 凌科药业(杭州)有限公司 2024-09-27 — — CN disclosed
CN-113993861-B Phenyl ethers and anilines of pyrazolyl-amino-pyrimidinyl derivatives, compositions and methods thereof 凌科药业(杭州)有限公司 2024-05-14 — — CN disclosed
US-20220259182-A1 BENZETHERS AND ANILINES OF PYRAZOLYL-AMINO-PYRIMIDINYL DERIVATIVES, AND COMPOSITIONS AND METHODS THEREOF LYNK PHARMACEUTICALS CO. LTD. (CN) 2022-08-18 — — 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-20220259182-A1 BENZETHERS AND ANILINES OF PYRAZOLYL-AMINO-PYRIMIDINYL DERIVATIVES, AND COMPOSITIONS AND METHODS THEREOF JAK3, JAK1, JAK2 HSD17B10 2161/4885KDM4E 553/4885TP53 972/4885

“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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