SCHEMBL2111860

SCHEMBL2111860

c1ccc(CN2CCOc3ncccc3C2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGER2 P43116 3/20 0.45
HSD11B1 P28845 1/20 0.43
LTA4H P09960 3/20 0.43
HTR3E A5X5Y0 1/20 0.43
HTR3B O95264 1/20 0.43
HTR3A P46098 1/20 0.43
HTR3D Q70Z44 1/20 0.43
HTR3C Q8WXA8 1/20 0.43
CYP1A2 P05177 1/20 0.43
SIGMAR1 Q99720 3/20 0.42
ALDH1A1 P00352 1/20 0.42
TSHR P16473 1/20 0.42
ADRA2A P08913 2/20 0.41
ADRA2B P18089 2/20 0.41
TMEM97 Q5BJF2 2/20 0.41
DRD4 P21917 1/20 0.41
HRH1 P35367 1/20 0.41
HTR2B P41595 1/20 0.41
MEN1 O00255 1/20 0.41
NPC1 O15118 1/20 0.41

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
SCHEMBL2111866 0.88 SIGMAR1 (0.46) HSD11B1LTA4HHTR3EHTR3BHTR3A
SCHEMBL13970695 0.81 MEN1 (0.44) PTGER2CYP1A2SIGMAR1ADRA2AADRA2B
SCHEMBL2110977 0.80 CYP1A2 (0.45) PTGER2CYP1A2SIGMAR1ALDH1A1ADRA2A
SCHEMBL2111899 0.78 CYP1A2 (0.44) PTGER2CYP1A2SIGMAR1ADRA2AADRA2B
SCHEMBL6436620 0.78 CYP2D6 (0.51) CYP1A2SIGMAR1ADRA2AADRA2BTMEM97
SCHEMBL1014048 0.77 MEN1 (0.58) DRD4MEN1NPC1RAB9AKMT2A
SCHEMBL2110623 0.76 CYP1A2 (0.47) PTGER2CYP1A2SIGMAR1ALDH1A1ADRA2A
Hydrochloric Acid SCHEMBL1833598 0.76 ALDH1A1 (0.40) PTGER2SIGMAR1ALDH1A1TSHRDRD4
SCHEMBL2889094 0.75 KDM4E (0.44) PTGER2CYP1A2SIGMAR1ALDH1A1ADRA2A
SCHEMBL2110350 0.74 PTGER2 (0.49) PTGER2CYP1A2

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 30 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250011338-A1 Kinase Inhibitors and Uses Thereof DENALI THERAPEUTICS INC. (US) 2025-01-09 US disclosed
US-12129263-B2 Kinase inhibitors and uses thereof DENALI THERAPEUTICS INC. (US) 2024-10-29 US disclosed
CN-110913858-B Kinase inhibitors and uses thereof 戴纳立制药公司 2024-09-24 CN disclosed
US-20220041620-A1 Kinase Inhibitors and Uses Thereof DENALI THERAPEUTICS INC. (US) 2022-02-10 US disclosed
US-11203600-B2 Kinase inhibitors and uses thereof DENALI THERAPEUTICS INC. (US) 2021-12-21 US disclosed
US-11203600-B2 Kinase inhibitors and uses thereof DENALI THERAPEUTICS INC. (US) 2021-12-21 US disclosed
EP-3624797-A1 KINASE INHIBITORS AND USES THEREOF Denali Therapeutics Inc. (US) 2020-03-25 EP disclosed
US-20200087319-A1 Kinase Inhibitors and Uses Thereof DENALI THERAPEUTICS INC. (US) 2020-03-19 US disclosed
US-20200087319-A1 Kinase Inhibitors and Uses Thereof DENALI THERAPEUTICS INC. (US) 2020-03-19 US disclosed
WO-2018213632-A1 KINASE INHIBITORS AND USES THEREOF DENALI THERAPEUTICS INC. (US) 2018-11-22 WO disclosed
US-20120165312-A1 FUSED HETEROCYCLIC COMPOUND AND USE THEREOF SHIRAI JUNYA (JP) 2012-06-28 US disclosed
US-20120165312-A1 FUSED HETEROCYCLIC COMPOUND AND USE THEREOF SHIRAI JUNYA (JP) 2012-06-28 US disclosed
US-20120165312-A1 FUSED HETEROCYCLIC COMPOUND AND USE THEREOF SHIRAI JUNYA (JP) 2012-06-28 US disclosed
US-8158617-B2 Fused heterocyclic compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-04-17 US disclosed
US-8158617-B2 Fused heterocyclic compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-04-17 US disclosed
US-8158617-B2 Fused heterocyclic compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-04-17 US disclosed
US-20090131402-A1 Fused heterocyclic compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED 2009-05-21 US disclosed
US-20090131402-A1 Fused heterocyclic compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED 2009-05-21 US disclosed
US-20090131402-A1 Fused heterocyclic compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED 2009-05-21 US disclosed
EP-2018863-A1 FUSED HETEROCYCLIC COMPOUND AND USE THEREOF Takeda Pharmaceutical Company Limited (JP) 2009-01-28 EP 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 (7 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-20120165312-A1 FUSED HETEROCYCLIC COMPOUND AND USE THEREOF HTR2C, HTR3C, HTR3B PTGER2 231/4885HSD11B1 1124/4885LTA4H 728/4885
US-20090131402-A1 Fused heterocyclic compound and use thereof HTR2C, HTR3C, HTR3B PTGER2 231/4885HSD11B1 1124/4885LTA4H 728/4885
US-20250011338-A1 Kinase Inhibitors and Uses Thereof MAP3K20, MAP3K6, MAP3K19 PTGER2 3931/4885HSD11B1 3673/4885LTA4H 4067/4885
US-20200087319-A1 Kinase Inhibitors and Uses Thereof MAP3K20, MAP3K6, MAP3K19 PTGER2 3931/4885HSD11B1 3673/4885LTA4H 4067/4885
US-11203600-B2 Kinase inhibitors and uses thereof MAP3K20, MAP3K6, MAP3K19 PTGER2 3931/4885HSD11B1 3673/4885LTA4H 4067/4885
US-20220041620-A1 Kinase Inhibitors and Uses Thereof MAP3K20, MAP3K6, MAP3K19 PTGER2 3931/4885HSD11B1 3673/4885LTA4H 4067/4885
US-12129263-B2 Kinase inhibitors and uses thereof MAP3K20, MAP3K6, MAP3K19 PTGER2 3931/4885HSD11B1 3673/4885LTA4H 4067/4885

“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.