SCHEMBL21162019

SCHEMBL21162019

CC(=O)NC1(c2ccc(N)cc2)CC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 4/20 0.47
ALDH1A1 P00352 5/20 0.44
KDM4E B2RXH2 1/20 0.43
HPGD P15428 1/20 0.43
HSD17B10 Q99714 1/20 0.43
CYP2C19 P33261 3/20 0.42
HTT P42858 1/20 0.42
DHFR P00374 1/20 0.41
TSHR P16473 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
GAA P10253 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.38
PKM P14618 1/20 0.38
DRD2 P14416 1/20 0.38
DRD4 P21917 1/20 0.38
DRD3 P35462 1/20 0.38
F10 P00742 1/20 0.36
PDE2A O00408 2/20 0.36
MAPT P10636 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
SCHEMBL5206840 0.84 BAZ2A (0.39) POLBALDH1A1KDM4EHPGDHSD17B10
SCHEMBL5203901 0.84 BAZ2A (0.39) POLBALDH1A1KDM4EHPGDHSD17B10
SCHEMBL8354032 0.83 POLB (0.48) POLBALDH1A1KDM4EHPGDHSD17B10
SCHEMBL20476086 0.83 ALDH1A1 (0.39) POLBALDH1A1KDM4EHPGDHSD17B10
SCHEMBL21162015 0.82 POLB (0.40) POLBALDH1A1HTTGAAL3MBTL1
SCHEMBL30299580 0.81 CYP2C19 (0.58) POLBALDH1A1KDM4EHPGDHSD17B10
SCHEMBL1697725 0.81 CYP1A2 (0.47) POLBALDH1A1KDM4EHPGDHSD17B10
SCHEMBL5988502 0.81 POLB (0.47) POLBALDH1A1KDM4EHPGDHSD17B10
SCHEMBL5987740 0.81 POLB (0.65) POLBALDH1A1KDM4EHPGDHSD17B10
SCHEMBL14725031 0.81 POLB (0.47) POLBALDH1A1KDM4EHPGDHSD17B10

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
CN-110300754-A Pyrrolo [1,2-b ] pyridazine derivatives 吉利德科学公司 2019-10-01 CN disclosed
US-10336762-B2 Pyrrolo[1,2-b]pyridazine derivatives GILEAD SCIENCES, INC. (US) 2019-07-02 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 (1 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-10336762-B2 Pyrrolo[1,2-b]pyridazine derivatives SDHB, CYP4F2, CYP1B1 POLB 171/4885ALDH1A1 417/4885KDM4E 3220/4885

“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.