SCHEMBL9989888

SCHEMBL9989888

C[C@@H]1C[C@H](NC2(CC#N)COC2)C[C@@H]1c1cnc2cnc3[nH]ccc3n12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 7/20 0.43
KDR P35968 6/20 0.43
AURKA O14965 5/20 0.43
JAK1 P23458 4/20 0.43
FLT3 P36888 3/20 0.43
JAK3 P52333 5/20 0.40
LCK P06239 3/20 0.40
RET P07949 3/20 0.40
LTK P29376 3/20 0.40
ROCK1 Q13464 3/20 0.40
CAMK1D Q8IU85 3/20 0.40
TYK2 P29597 3/20 0.40
ROCK2 O75116 2/20 0.40
FGFR1 P11362 2/20 0.40
GRK5 P34947 2/20 0.40
PRKCQ Q04759 2/20 0.40
TNK2 Q07912 2/20 0.40
PRKAA1 Q13131 2/20 0.40
ALK Q9UM73 2/20 0.40
GAK O14976 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
SCHEMBL18832804 0.81 JAK2 (0.41) JAK2KDRAURKAJAK1FLT3
SCHEMBL18855768 0.80 JAK2 (0.45) JAK2KDRAURKAJAK1FLT3
SCHEMBL9991053 0.80 JAK2 (0.45) JAK2KDRAURKAJAK1FLT3
SCHEMBL9992429 0.80 JAK2 (0.45) JAK2KDRAURKAJAK1FLT3
SCHEMBL9992062 0.80 JAK2 (0.45) JAK2KDRAURKAJAK1FLT3
SCHEMBL14779866 0.78 KDR (0.56) JAK2KDRAURKAJAK1FLT3
SCHEMBL9990535 0.78 JAK2 (0.49) JAK2KDRAURKAJAK1FLT3
SCHEMBL9989372 0.76 JAK2 (0.45) JAK2KDRAURKAJAK1FLT3
SCHEMBL9995102 0.76 JAK2 (0.45) JAK2KDRAURKAJAK1FLT3
SCHEMBL9990565 0.76 JAK2 (0.45) JAK2KDRAURKAJAK1FLT3

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 22 patents — showing the first 20. 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
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-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
US-20110311474-A1 Novel Tricyclic Compounds ABBOTT LABORATORIES (US) 2011-12-22 US disclosed
WO-2011068881-A1 NOVEL TRICYCLIC COMPOUNDS ABBOTT LABORATORIES (US) 2011-06-09 WO 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 356/4885KDR 3996/4885AURKA 1637/4885
US-20160222020-A1 NOVEL TRICYCLIC COMPOUNDS CYP11B2, CYP11B1, ABCB1 JAK2 356/4885KDR 3996/4885AURKA 1637/4885
US-20110311474-A1 Novel Tricyclic Compounds CYP11B2, CYP11B1, ABCB1 JAK2 356/4885KDR 3996/4885AURKA 1637/4885
US-20130216497-A1 NOVEL TRICYCLIC COMPOUNDS CYP11B2, CYP11B1, ABCB1 JAK2 356/4885KDR 3996/4885AURKA 1637/4885

“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.