SCHEMBL21774754

SCHEMBL21774754

Cc1nnc(C2CCC(NC(=O)O)CC2)o1

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
BTK Q06187 1/20 0.41
EPHX2 P34913 2/20 0.39
CCR5 P51681 1/20 0.39
SMYD3 Q9H7B4 1/20 0.38
LIPG Q9Y5X9 1/20 0.38
TNKS O95271 5/20 0.37
ADCY1 Q08828 3/20 0.37
MAP2K1 Q02750 1/20 0.37
MAPK14 Q16539 1/20 0.37
PARP1 P09874 3/20 0.36
PARP2 Q9UGN5 3/20 0.36
TNKS2 Q9H2K2 1/20 0.35
ADCY8 P40145 1/20 0.35
LMNA P02545 1/20 0.35
MAPK1 P28482 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
SCHEMBL21774755 1.00 BTK (0.41) BTKEPHX2CCR5SMYD3LIPG
SCHEMBL517164 0.82 TNKS (0.44) EPHX2SMYD3LIPGTNKSADCY1
SCHEMBL517165 0.82 TNKS (0.44) EPHX2SMYD3LIPGTNKSADCY1
SCHEMBL21733956 0.82 LIPG (0.49) BTKLIPG
SCHEMBL30216265 0.82 LIPG (0.49) BTKLIPG
SCHEMBL8226321 0.80
SCHEMBL408297 0.80 CCR5 (0.40) BTKEPHX2CCR5ADCY1ADCY8
SCHEMBL441460 0.80 CCR5 (0.40) BTKEPHX2CCR5ADCY1ADCY8
SCHEMBL441026 0.79 PKM (0.39) BTKEPHX2CCR5ADCY1ADCY8
SCHEMBL408403 0.79 PKM (0.39) BTKEPHX2CCR5ADCY1ADCY8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11572362-B2 Pyrrolo[1,2-b]pyridazine derivatives GILEAD SCIENCES, INC. (US) 2023-02-07 US disclosed
US-20200071333-A1 PYRROLO[1,2-b]PYRIDAZINE DERIVATIVES GILEAD SCIENCES, INC. 2020-03-05 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 (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 BTK 1916/4885EPHX2 1793/4885CCR5 1166/4885
US-20200071333-A1 PYRROLO[1,2-b]PYRIDAZINE DERIVATIVES CYP11B2, CYP11B1, DHPS BTK 1916/4885EPHX2 1793/4885CCR5 1166/4885

“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.