SCHEMBL20548838

SCHEMBL20548838

O=CC(=CO)c1ncnc2[nH]ccc12

nearest known ligand 0.49

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
JAK3 P52333 2/20 0.49
NOTUM Q6P988 1/20 0.41
JAK2 O60674 1/20 0.41
HPGDS O60760 1/20 0.40
TTBK1 Q5TCY1 1/20 0.40
TTBK2 Q6IQ55 1/20 0.40
CYP2C9 P11712 1/20 0.40

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
SCHEMBL20548929 1.00 JAK3 (0.49) JAK3NOTUMJAK2HPGDSTTBK1
SCHEMBL19098142 1.00 JAK3 (0.49) JAK3NOTUMJAK2HPGDSTTBK1
SCHEMBL30882147 1.00 JAK3 (0.49) JAK3NOTUMJAK2HPGDSTTBK1
SCHEMBL28812137 0.76 JAK3 (0.60) JAK3NOTUMJAK2TTBK1TTBK2
SCHEMBL28249736 0.76 JAK3 (0.47) JAK3NOTUMJAK2TTBK1TTBK2
SCHEMBL18599351 0.75 JAK3 (0.46) JAK3NOTUMJAK2HPGDSTTBK1
SCHEMBL3491733 0.75 JAK3 (0.59) JAK3NOTUMJAK2CYP2C9
Hydrochloric Acid SCHEMBL27966051 0.75 JAK3 (0.59) JAK3NOTUMJAK2TTBK1TTBK2
SCHEMBL2606612 0.75 JAK3 (0.59) JAK3NOTUMJAK2CYP2C9
Hydrochloric Acid SCHEMBL28120811 0.73 JAK3 (0.57) JAK3NOTUMJAK2CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117964625-A Preparation method of high-optical-purity ponatinib intermediate 安徽万邦医药科技股份有限公司 2024-05-03 CN disclosed
CN-111763209-B Synthesis process of luccotinib 正大天晴药业集团股份有限公司 2021-12-03 CN disclosed
EP-3398952-B1 SYNTHESIS PROCESS OF RUXOLITINIB CHIA TAI TIANQING PHARMACEUTICAL GROUP CO LTD (CN) 2021-07-14 EP disclosed
CN-111763209-A Synthesis process of luccotinib 正大天晴药业集团股份有限公司 2020-10-13 CN disclosed
CN-108699063-B Synthesis process of luccotinib 正大天晴药业集团股份有限公司 2020-06-26 CN disclosed
US-10562904-B2 Synthesis process of ruxolitinib CHIA TAI TIANQING PHARMACEUTICAL GROUP CO., LTD. (CN) 2020-02-18 US disclosed
US-20190023712-A1 SYNTHESIS PROCESS OF RUXOLITINIB CHIA TAI TIANQING PHARMACEUTICAL GROUP CO., LTD. (CN) 2019-01-24 US disclosed
EP-3398952-A1 SYNTHESIS PROCESS OF RUXOLITINIB Chai Tai Tianqing Pharmaceutical Group Co., Ltd. (CN) 2018-11-07 EP 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-10562904-B2 Synthesis process of ruxolitinib JAK3, JAK1, JAK2 JAK3 1/4885NOTUM 1479/4885JAK2 3/4885
US-20190023712-A1 SYNTHESIS PROCESS OF RUXOLITINIB JAK3, JAK1, JAK2 JAK3 1/4885NOTUM 1479/4885JAK2 3/4885

“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.