SCHEMBL21733949

SCHEMBL21733949

NC1CCC(c2cncs2)CC1

nearest known ligand 0.57

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 2/20 0.57
HDAC8 Q9BY41 1/20 0.38
PDE10A Q9Y233 1/20 0.31

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
SCHEMBL2530271 0.89
SCHEMBL24800406 0.80 HDAC8 (0.42) KDM1AHDAC8
SCHEMBL17643663 0.75 KDM1A (0.38) KDM1AHDAC8PDE10A
SCHEMBL14880329 0.73 KDM1A (1.00) KDM1A
SCHEMBL14880328 0.73 KDM1A (1.00) KDM1A
Hydrochloric Acid SCHEMBL27035814 0.73 KDM1A (0.55) KDM1AHDAC8
SCHEMBL5783757 0.73 KDM1A (0.51) KDM1AHDAC8
Hydrochloric Acid SCHEMBL16010514 0.72 KDM1A (0.97) KDM1A
Hydrochloric Acid SCHEMBL16010513 0.72 KDM1A (0.97) KDM1A
SCHEMBL20052502 0.72

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 3 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
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 KDM1A 2860/4885HDAC8 3475/4885PDE10A 584/4885
US-20200071333-A1 PYRROLO[1,2-b]PYRIDAZINE DERIVATIVES CYP11B2, CYP11B1, DHPS KDM1A 2860/4885HDAC8 3475/4885PDE10A 584/4885

“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.