SCHEMBL21733441

SCHEMBL21733441

C#CC1CCC(N(Cc2ccccc2)Cc2ccccc2)CC1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
YTHDC1 Q96MU7 1/20 0.48
SLC6A2 P23975 2/20 0.44
SLC6A4 P31645 2/20 0.44
KMT2A Q03164 4/20 0.42
SLC6A3 Q01959 1/20 0.41
MEN1 O00255 3/20 0.40
GRIN2B Q13224 1/20 0.40
RAB9A P51151 1/20 0.40
LMNA P02545 2/20 0.40
USP2 O75604 1/20 0.40
CYP3A4 P08684 1/20 0.40
TSHR P16473 1/20 0.40
MAOA P21397 1/20 0.40
MAOB P27338 1/20 0.40
PYCR1 P32322 1/20 0.40
ALDH1A1 P00352 3/20 0.39
BLM P54132 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
G6PC1 P35575 1/20 0.37
KDM4E B2RXH2 1/20 0.36

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
SCHEMBL21774844 1.00 YTHDC1 (0.48) YTHDC1SLC6A2SLC6A4KMT2ASLC6A3
SCHEMBL3376962 0.85 YTHDC1 (0.58) YTHDC1SLC6A2SLC6A4KMT2ASLC6A3
SCHEMBL1543051 0.83 YTHDC1 (0.48) YTHDC1SLC6A2SLC6A4KMT2ASLC6A3
SCHEMBL150705 0.83 YTHDC1 (0.48) YTHDC1SLC6A2SLC6A4KMT2ASLC6A3
SCHEMBL13017781 0.79 SLC6A2 (0.53) YTHDC1SLC6A2SLC6A4KMT2ASLC6A3
SCHEMBL24126728 0.78 YTHDC1 (0.44) YTHDC1SLC6A2SLC6A4KMT2ASLC6A3
SCHEMBL24126729 0.78 YTHDC1 (0.44) YTHDC1SLC6A2SLC6A4KMT2ASLC6A3
SCHEMBL3373138 0.77 SLC6A2 (0.51) YTHDC1SLC6A2SLC6A4KMT2ASLC6A3
SCHEMBL153176 0.77 YTHDC1 (0.43) YTHDC1SLC6A2SLC6A4KMT2ASLC6A3
SCHEMBL21789675 0.77 SLC6A2 (0.51) YTHDC1SLC6A2SLC6A4KMT2ASLC6A3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112566697-B Pyrrolo [1,2-b ] pyridazine derivatives as IRAK4 inhibitors 吉利德科学公司 2024-04-16 CN disclosed
US-11572362-B2 Pyrrolo[1,2-b]pyridazine derivatives GILEAD SCIENCES, INC. (US) 2023-02-07 US disclosed
CN-112566697-A Pyrrolo [1,2-b ] pyridazine derivatives as IRAK4 inhibitors 吉利德科学公司 2021-03-26 CN disclosed
US-20200071333-A1 PYRROLO[1,2-b]PYRIDAZINE DERIVATIVES GILEAD SCIENCES, INC. 2020-03-05 US disclosed
WO-2020036979-A1 PYRROLO[1,2-B]PYRIDAZINE DERIVATIVES AS IRAK4 INHIBITORS GILEAD SCIENCES, INC. (US) 2020-02-20 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 (2 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-11572362-B2 Pyrrolo[1,2-b]pyridazine derivatives CYP11B2, CYP11B1, DHPS YTHDC1 4067/4885SLC6A2 2810/4885SLC6A4 3568/4885
US-20200071333-A1 PYRROLO[1,2-b]PYRIDAZINE DERIVATIVES CYP11B2, CYP11B1, DHPS YTHDC1 4067/4885SLC6A2 2810/4885SLC6A4 3568/4885

“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.