SCHEMBL1933010

SCHEMBL1933010

Nc1nc2cnc3[nH]ccc3c2[nH]1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 1/20 0.47
JAK1 P23458 9/20 0.41
PRKCI P41743 3/20 0.40
AXL P30530 2/20 0.40
MAPK1 P28482 1/20 0.39
NUDT1 P36639 1/20 0.38
JAK2 O60674 9/20 0.37
AURKA O14965 3/20 0.37
PRKCA P17252 3/20 0.37
KDR P35968 3/20 0.37
JAK3 P52333 2/20 0.37
HPGDS O60760 1/20 0.36
TTBK1 Q5TCY1 1/20 0.35
TTBK2 Q6IQ55 1/20 0.35
RET P07949 1/20 0.35
FGFR1 P11362 1/20 0.35
LTK P29376 1/20 0.35
GRK5 P34947 1/20 0.35
BTK Q06187 1/20 0.35
MAP4K2 Q12851 1/20 0.35

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
SCHEMBL29588119 0.80 PRKCI (0.47) JAK1PRKCIAXLMAPK1NUDT1
SCHEMBL12424590 0.80 PRKCI (0.47) JAK1PRKCIAXLMAPK1NUDT1
SCHEMBL28735162 0.80 PRKCI (0.40) JAK1PRKCIAXLMAPK1NUDT1
SCHEMBL20289779 0.80 JAK1 (0.39) DYRK1AJAK1PRKCIAXLMAPK1
SCHEMBL20289959 0.79 JAK1 (0.41) DYRK1AJAK1PRKCIAXLMAPK1
SCHEMBL24457934 0.78 AXL (0.41) JAK1PRKCIAXLMAPK1NUDT1
SCHEMBL20289520 0.77 JAK3 (0.44) JAK1MAPK1NUDT1JAK2JAK3
SCHEMBL12518825 0.76 JAK1 (0.43) JAK1PRKCIAXLMAPK1NUDT1
SCHEMBL23192445 0.76 AXL (0.41) JAK1PRKCIAXLJAK2AURKA
SCHEMBL20289774 0.76 JAK3 (0.41) JAK1PRKCIAXLMAPK1NUDT1

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 12 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
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-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-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
EP-2506716-A1 NOVEL TRICYCLIC COMPOUNDS Abbott Laboratories (US) 2012-10-10 EP 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 DYRK1A 4244/4885JAK1 1602/4885PRKCI 3511/4885
US-20160222020-A1 NOVEL TRICYCLIC COMPOUNDS CYP11B2, CYP11B1, ABCB1 DYRK1A 4244/4885JAK1 1602/4885PRKCI 3511/4885
US-20110311474-A1 Novel Tricyclic Compounds CYP11B2, CYP11B1, ABCB1 DYRK1A 4244/4885JAK1 1602/4885PRKCI 3511/4885
US-20130216497-A1 NOVEL TRICYCLIC COMPOUNDS CYP11B2, CYP11B1, ABCB1 DYRK1A 4244/4885JAK1 1602/4885PRKCI 3511/4885

“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.