SCHEMBL16218910

SCHEMBL16218910

CC[C@H](C1CCCC1)n1cc(-c2ncnc3[nH]ccc23)cn1

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 15/20 0.77
JAK1 P23458 13/20 0.77
JAK3 P52333 6/20 0.77
TYK2 P29597 5/20 0.77
RET P07949 3/20 0.77
ROCK1 Q13464 3/20 0.77
DAPK3 O43293 2/20 0.77
PAK4 O96013 2/20 0.77
ABL1 P00519 2/20 0.77
LTK P29376 2/20 0.77
CSNK1A1 P48729 2/20 0.77
CLK2 P49760 2/20 0.77
TNK2 Q07912 2/20 0.77
DYRK1A Q13627 2/20 0.77
IKBKE Q14164 2/20 0.77
NTRK3 Q16288 2/20 0.77
NTRK2 Q16620 2/20 0.77
LRRK2 Q5S007 2/20 0.77
TAOK1 Q7L7X3 2/20 0.77
CAMK1D Q8IU85 2/20 0.77

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
SCHEMBL100309 1.00 JAK2 (0.77) JAK2JAK1JAK3TYK2RET
SCHEMBL101864 0.92 JAK2 (0.74) JAK2JAK1JAK3TYK2RET
Phosphoric Acid SCHEMBL27083980 0.91 JAK2 (0.77) JAK2JAK1JAK3TYK2RET
Trifluoroacetic Acid SCHEMBL101747 0.91 JAK2 (0.65) JAK2JAK1JAK3TYK2RET
SCHEMBL24767659 0.90 JAK2 (0.72) JAK2JAK1JAK3TYK2RET
SCHEMBL18896326 0.89 JAK2 (0.70) JAK2JAK1JAK3TYK2RET
SCHEMBL24053685 0.89 JAK2 (0.75) JAK2JAK1JAK3TYK2RET
SCHEMBL10315658 0.89 JAK2 (0.75) JAK2JAK1JAK3TYK2RET
SCHEMBL104692 0.89 JAK2 (0.75) JAK2JAK1JAK3TYK2RET
SCHEMBL24505546 0.88 JAK2 (0.74) JAK2JAK1JAK3TYK2RET

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240024490-A1 BIFUNCTIONAL MOLECULES FOR SELECTIVE MODIFICATION OF TARGET SUBSTRATES THE BROAD INSTITUTE, INC. 2024-01-25 US disclosed
US-20230399331-A1 SOLID FORMS OF JAK INHIBITOR AND PROCESS OF PREPARING THE SAME INCYTE CORPORATION 2023-12-14 US disclosed
US-20230192904-A1 BIFUNCTIONAL CHIMERIC MOLECULES FOR LABELING OF KINASES WITH TARGET BINDING MOIETIES AND METHODS OF USE THEREOF THE BROAD INSTITUTE, INC. 2023-06-22 US disclosed
US-20230158037-A1 SUBSTITUTED 4-AMINOISOINDOLINE-1,3-DIONE COMPOUNDS AND SECOND ACTIVE AGENTS FOR COMBINED USE CELGENE CORPORATION 2023-05-25 US disclosed
EP-3183252-B1 OXALATE SALT OF RUXOLITINIB RATIOPHARM GMBH (DE) 2021-05-12 EP disclosed
US-10973913-B2 JAK inhibitors and uses thereof WASHINGTON UNIVERSITY (US) 2021-04-13 US disclosed
US-20200282051-A1 JAK INHIBITORS AND USES THEREOF WASHINGTON UNIVERSITY (US) 2020-09-10 US disclosed
US-20180185372-A1 USE OF TREM-1 INHIBITORS FOR TREATMENT, ELIMINATION AND ERADICATION OF HIV-1 INFECTION UNIV EMORY (US) 2018-07-05 US disclosed
EP-3183253-B1 SALT OF (R)-3-(4-(7H-PYRROLO [2,3-D]PYRIMIDIN-4-YL)-LH-PYRAZOL-L-YL)-3-CYCLOPENTYLPROPANENITRILE WITH BENZENESULFONIC ACID RATIOPHARM GMBH (DE) 2018-06-27 EP disclosed
US-9089574-B2 Antiviral JAK inhibitors useful in treating or preventing retroviral and other viral infections EMORY UNIVERSITY (US) 2015-07-28 US disclosed
US-20140328793-A1 ANTIVIRAL JAK INHIBITORS USEFUL IN TREATING OR PREVENTING RETROVIRAL AND OTHER VIRAL INFECTIONS EMORY UNIVERSITY (US) 2014-11-06 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 (8 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-20140328793-A1 ANTIVIRAL JAK INHIBITORS USEFUL IN TREATING OR PREVENTING RETROVIRAL AND OTHER VIRAL INFECTIONS JAK1, JAK3, PNP JAK2 4/4885JAK1 1/4885JAK3 2/4885
US-20230399331-A1 SOLID FORMS OF JAK INHIBITOR AND PROCESS OF PREPARING THE SAME JAK1, JAK2, JAK3 JAK2 2/4885JAK1 1/4885JAK3 3/4885
US-20230158037-A1 SUBSTITUTED 4-AMINOISOINDOLINE-1,3-DIONE COMPOUNDS AND SECOND ACTIVE AGENTS FOR COMBINED USE DOT1L, CARM1, EZH2 JAK2 32/4885JAK1 152/4885JAK3 556/4885
US-20240024490-A1 BIFUNCTIONAL MOLECULES FOR SELECTIVE MODIFICATION OF TARGET SUBSTRATES COASY, JMJD7, PTMS JAK2 3883/4885JAK1 4134/4885JAK3 3981/4885
US-10973913-B2 JAK inhibitors and uses thereof JAK2, JAK1, JAK3 JAK2 1/4885JAK1 2/4885JAK3 3/4885
US-20230192904-A1 BIFUNCTIONAL CHIMERIC MOLECULES FOR LABELING OF KINASES WITH TARGET BINDING MOIETIES AND METHODS OF USE THEREOF ERBB2, ACP1, TK1 JAK2 407/4885JAK1 643/4885JAK3 752/4885
US-20180185372-A1 USE OF TREM-1 INHIBITORS FOR TREATMENT, ELIMINATION AND ERADICATION OF HIV-1 INFECTION MERTK, PNP, HAVCR2 JAK2 277/4885JAK1 6/4885JAK3 85/4885
US-20200282051-A1 JAK INHIBITORS AND USES THEREOF JAK2, JAK1, JAK3 JAK2 1/4885JAK1 2/4885JAK3 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.