SCHEMBL9989736

SCHEMBL9989736

O=[N+]([O-])c1cnc2[nH]ccc2c1NC1CCCCC1

nearest known ligand 0.55

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 14/20 0.55
JAK1 P23458 11/20 0.55
CDK2 P24941 1/20 0.48
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
HPGDS O60760 1/20 0.48
JAK3 P52333 9/20 0.45
TYK2 P29597 2/20 0.44

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
SCHEMBL12554889 0.84 JAK1 (0.55) JAK2JAK1HPGDSJAK3TYK2
SCHEMBL27148737 0.83 JAK3 (0.47) JAK2JAK1JAK3TYK2
SCHEMBL27138255 0.83 JAK3 (0.47) JAK2JAK1JAK3TYK2
SCHEMBL24678709 0.83 JAK2 (0.46) JAK2JAK1CDK2MEN1KMT2A
SCHEMBL30084246 0.83 JAK2 (0.46) JAK2JAK1CDK2MEN1KMT2A
SCHEMBL17129858 0.80 JAK1 (0.69) JAK2JAK1JAK3TYK2
SCHEMBL17122720 0.80 JAK1 (0.69) JAK2JAK1JAK3TYK2
SCHEMBL18855801 0.78 JAK1 (0.46) JAK2JAK1JAK3TYK2
SCHEMBL30084292 0.78 JAK2 (0.46) JAK2JAK1MEN1KMT2AHPGDS
SCHEMBL24678176 0.78 JAK2 (0.46) JAK2JAK1MEN1KMT2AHPGDS

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 21 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
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-20160222020-A1 NOVEL TRICYCLIC COMPOUNDS ABBVIE INC. (US) 2016-08-04 US disclosed
CN-104370909-A Novel tricyclic compounds ABBOTT LAB 2015-02-25 CN disclosed
CN-102711476-B Novel tricyclic compounds ABBVIE LAB 2014-12-03 CN 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
CN-102711476-A Novel tricyclic compounds ABBOTT LAB 2012-10-03 CN 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 1602/4885CDK2 754/4885
US-20160222020-A1 NOVEL TRICYCLIC COMPOUNDS CYP11B2, CYP11B1, ABCB1 JAK2 356/4885JAK1 1602/4885CDK2 754/4885
US-20110311474-A1 Novel Tricyclic Compounds CYP11B2, CYP11B1, ABCB1 JAK2 356/4885JAK1 1602/4885CDK2 754/4885
US-20130216497-A1 NOVEL TRICYCLIC COMPOUNDS CYP11B2, CYP11B1, ABCB1 JAK2 356/4885JAK1 1602/4885CDK2 754/4885

“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.