SCHEMBL9989372

SCHEMBL9989372

C[C@H]1C[C@@H](Nc2cnc(C#N)cn2)C[C@H]1c1cnc2cnc3[nH]ccc3n12

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 12/20 0.45
JAK1 P23458 10/20 0.45
KDR P35968 7/20 0.45
AURKA O14965 6/20 0.45
FLT3 P36888 4/20 0.45
JAK3 P52333 9/20 0.39
TYK2 P29597 6/20 0.39
LCK P06239 3/20 0.39
RET P07949 3/20 0.39
LTK P29376 3/20 0.39
ROCK1 Q13464 3/20 0.39
CAMK1D Q8IU85 3/20 0.39
ROCK2 O75116 2/20 0.39
FGFR1 P11362 2/20 0.39
GRK5 P34947 2/20 0.39
PRKCQ Q04759 2/20 0.39
TNK2 Q07912 2/20 0.39
PRKAA1 Q13131 2/20 0.39
ALK Q9UM73 2/20 0.39
GAK O14976 1/20 0.39

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
SCHEMBL9990853 1.00 JAK2 (0.45) JAK2JAK1KDRAURKAFLT3
SCHEMBL9990565 1.00 JAK2 (0.45) JAK2JAK1KDRAURKAFLT3
SCHEMBL9995102 1.00 JAK2 (0.45) JAK2JAK1KDRAURKAFLT3
SCHEMBL18855645 1.00 JAK2 (0.45) JAK2JAK1KDRAURKAFLT3
SCHEMBL9989771 1.00 JAK2 (0.45) JAK2JAK1KDRAURKAFLT3
SCHEMBL13579709 0.88 JAK2 (0.46) JAK2JAK1KDRAURKAFLT3
SCHEMBL9991625 0.88 JAK2 (0.46) JAK2JAK1KDRAURKAFLT3
SCHEMBL12055631 0.86 KDR (0.47) JAK2JAK1KDRAURKAFLT3
SCHEMBL12055741 0.86 KDR (0.47) JAK2JAK1KDRAURKAFLT3
SCHEMBL18855638 0.86 KDR (0.47) JAK2JAK1KDRAURKAFLT3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3950692-A1 NOVEL TRICYCLIC COMPOUNDS AbbVie Inc. (US) 2022-02-09 EP disclosed
EP-3950692-A1 NOVEL TRICYCLIC COMPOUNDS AbbVie Inc. (US) 2022-02-09 EP disclosed
CN-109053742-B Novel tricyclic compounds ABBVIE 公司 2021-06-15 CN disclosed
US-20210061813-A1 NOVEL TRICYCLIC COMPOUNDS ABBVIE INC. (US) 2021-03-04 US disclosed
US-20210061813-A1 NOVEL TRICYCLIC COMPOUNDS ABBVIE INC. (US) 2021-03-04 US disclosed
US-RE47221-E1 Tricyclic compounds ABBVIE INC. (US) 2019-02-05 US disclosed
US-RE47221-E1 Tricyclic compounds ABBVIE INC. (US) 2019-02-05 US disclosed
EP-3266786-A1 NOVEL TRICYCLIC COMPOUNDS AbbVie Inc. (US) 2018-01-10 EP disclosed
EP-2506716-B1 NOVEL TRICYCLIC COMPOUNDS ABBVIE INC (US) 2017-05-17 EP disclosed
US-20160222020-A1 NOVEL TRICYCLIC COMPOUNDS ABBVIE INC. (US) 2016-08-04 US disclosed
US-20160222020-A1 NOVEL TRICYCLIC COMPOUNDS ABBVIE INC. (US) 2016-08-04 US disclosed
US-20160222020-A1 NOVEL TRICYCLIC COMPOUNDS ABBVIE INC. (US) 2016-08-04 US disclosed
US-20130216497-A1 NOVEL TRICYCLIC COMPOUNDS ABBOTT LABORATORIES 2013-08-22 US disclosed
US-20130216497-A1 NOVEL TRICYCLIC COMPOUNDS ABBOTT LABORATORIES 2013-08-22 US disclosed
US-20130216497-A1 NOVEL TRICYCLIC COMPOUNDS ABBOTT LABORATORIES 2013-08-22 US disclosed
US-8426411-B2 Tricyclic compounds ABBOTT LABORATORIES (US) 2013-04-23 US disclosed
US-8426411-B2 Tricyclic compounds ABBOTT LABORATORIES (US) 2013-04-23 US disclosed
US-20110311474-A1 Novel Tricyclic Compounds ABBOTT LABORATORIES (US) 2011-12-22 US disclosed
US-20110311474-A1 Novel Tricyclic Compounds ABBOTT LABORATORIES (US) 2011-12-22 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 (4 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-20210061813-A1 NOVEL TRICYCLIC COMPOUNDS CYP11B2, CYP11B1, ABCB1 JAK2 356/4885JAK1 1602/4885KDR 3996/4885
US-20160222020-A1 NOVEL TRICYCLIC COMPOUNDS CYP11B2, CYP11B1, ABCB1 JAK2 356/4885JAK1 1602/4885KDR 3996/4885
US-20110311474-A1 Novel Tricyclic Compounds CYP11B2, CYP11B1, ABCB1 JAK2 356/4885JAK1 1602/4885KDR 3996/4885
US-20130216497-A1 NOVEL TRICYCLIC COMPOUNDS CYP11B2, CYP11B1, ABCB1 JAK2 356/4885JAK1 1602/4885KDR 3996/4885

“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.