SCHEMBL482445

SCHEMBL482445

Nc1n[nH]c2ccc(Cl)cc12

nearest known ligand 0.67

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 15/20 0.67
PDPK1 O15530 3/20 0.60
JAK1 P23458 7/20 0.56
TYK2 P29597 1/20 0.56
JAK3 P52333 1/20 0.56
KDM4E B2RXH2 1/20 0.52
CYP3A4 P08684 1/20 0.52
GAA P10253 1/20 0.52
FADS1 O60427 1/20 0.50
HTR2A P28223 1/20 0.46

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
SCHEMBL4502873 0.83 PDPK1 (0.60) JAK2PDPK1JAK3KDM4ECYP3A4
SCHEMBL10213929 0.78 JAK2 (0.81) JAK2PDPK1JAK1TYK2JAK3
SCHEMBL118573 0.78 JAK2 (0.64) JAK2PDPK1JAK1TYK2JAK3
SCHEMBL16246796 0.78 JAK2 (0.48) JAK2JAK1KDM4EFADS1
SCHEMBL30548017 0.78 FADS1 (0.49) JAK2PDPK1GAAFADS1HTR2A
SCHEMBL15332567 0.78 FADS1 (0.49) JAK2PDPK1GAAFADS1HTR2A
SCHEMBL13122049 0.78 FADS1 (0.49) JAK2CYP3A4GAAFADS1HTR2A
SCHEMBL14095666 0.78 FADS1 (0.49) JAK2JAK1FADS1HTR2A
SCHEMBL11010462 0.78 FADS1 (0.49) JAK2JAK1FADS1HTR2A
SCHEMBL5510054 0.78 FADS1 (0.49) JAK2JAK1FADS1HTR2A

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 55 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-RE28939-E MUSCLE RELAXANTS, ANALGESICS SMITHKLINE CORPORATION (US) 1976-08-24 US claimed
WO-2024129395-A1 BTK INHIBITORS GWYNANT THERAPEUTICS, INC. (US) 2024-06-20 WO disclosed
CN-116023380-B Pyrazolopyrimidine derivative, and preparation method and application thereof 沈阳药科大学 2024-01-23 CN disclosed
WO-2023071218-A1 PYRAZOLOPYRIMIDINE DERIVATIVE, AND PREPARATION METHOD THEREFOR AND APPLICATION THEREOF 沈阳药科大学 2023-05-04 WO disclosed
CN-116023380-A Pyrazolopyrimidine derivative, and preparation method and application thereof 沈阳药科大学 2023-04-28 CN disclosed
CN-110818683-B 2-pyridine substituted urea structure small molecule compound and synthesis and application thereof 中国科学院上海药物研究所 2023-04-14 CN disclosed
US-10668071-B2 (Aza)pyridopyrazolopyrimidinones and indazolopyrimidinones and their use BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2020-06-02 US disclosed
CN-110818683-A 2-pyridine substituted urea structure small molecule compound and synthesis and application thereof 中国科学院上海药物研究所 2020-02-21 CN disclosed
EP-3066100-B1 (AZA)PYRIDOPYRAZOLOPYRIMIDINONES AND INDAZOLOPYRIMIDINONES AS INHIBITORS OF FIBRINOLYSIS Bayer Pharma AG (DE) 2019-04-17 EP disclosed
US-20180344739-A1 (AZA)PYRIDOPYRAZOLOPYRIMIDINONES AND INDAZOLOPYRIMIDINONES AND THEIR USE BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2018-12-06 US disclosed
US-4751302-A ANTIINFLAMMATORY, ANTIULCER AGENTS, ANALGESICS ASAHI KASEI KOGYO KABUSHIKI KAISHA (JP) 1988-06-14 US disclosed
US-4533731-A ANTIINFLAMMATORY AGENTS ASAHI KASEI KOGYO KABUSHIKI KAISHA (JP) 1985-08-06 US disclosed
EP-0090972-A2 Indazole derivatives Asahi Kasei Kogyo Kabushiki Kaisha (JP) 1983-10-12 EP disclosed
US-4128545-A DISPERSE, POLYESTER BASF AKTIENGESELLSCHAFT (DE) 1978-12-05 US disclosed
US-4113720-A Disperse azo dye with diaminopyrimidine coupling component BASF AKTIENGESELLSCHAFT (DE) 1978-09-12 US disclosed
US-4051252-A ANALGESIC, ANTIINFLAMMATORY, ANTIPYRETIC BAYER AKTIENGESELLSCHAFT (DT) 1977-09-27 US disclosed
US-4042578-A POLYESTERS BADISCHE ANILIN- & SODA-FABRIK AKTIENGESELLSCHAFT (DT) 1977-08-16 US disclosed
US-4041025-A FOR HYDROPHOBIC FIBERS SUCH AS POLYESTERS, YELLOW TO BLUE-GREEN SHADES BASF AKTIENGESELLSCHAFT (DT) 1977-08-09 US disclosed
US-3985726-A DYEING AND PRINTING LEATHER, WOOL, SILK AND SYNTHETIC FIBERS CIBA-GEIGY AG (CH) 1976-10-12 US disclosed
US-RE28939-E MUSCLE RELAXANTS, ANALGESICS SMITHKLINE CORPORATION (US) 1976-08-24 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 (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-20180344739-A1 (AZA)PYRIDOPYRAZOLOPYRIMIDINONES AND INDAZOLOPYRIMIDINONES AND THEIR USE SERPINB6, SERPINC1, SERPINE1 JAK2 167/4885PDPK1 1304/4885JAK1 317/4885
US-10668071-B2 (Aza)pyridopyrazolopyrimidinones and indazolopyrimidinones and their use SERPINB6, SERPINC1, SERPINE1 JAK2 167/4885PDPK1 1304/4885JAK1 317/4885

“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.