SCHEMBL21733294

SCHEMBL21733294

O=Cc1cn([C@H]2CC[C@H](NC(=O)OCc3ccccc3)CC2)nn1

nearest known ligand 0.55

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.55
GAA P10253 1/20 0.55
TSHR P16473 1/20 0.53
EPHX1 P07099 1/20 0.47
JAK2 O60674 1/20 0.47
JAK1 P23458 1/20 0.47
TYK2 P29597 1/20 0.47
DPP4 P27487 7/20 0.47
DPP7 Q9UHL4 7/20 0.47
KCNH2 Q12809 4/20 0.47
CTSL P07711 1/20 0.46
CTSB P07858 1/20 0.46
CTSK P43235 1/20 0.46
TLR4 O00206 1/20 0.43
HDAC11 Q96DB2 1/20 0.43

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
SCHEMBL30216229 1.00 ALDH1A1 (0.55) ALDH1A1GAATSHREPHX1JAK2
SCHEMBL30216257 0.84 ALDH1A1 (0.56) ALDH1A1GAATSHREPHX1JAK2
SCHEMBL21789371 0.84 ALDH1A1 (0.56) ALDH1A1GAATSHREPHX1JAK2
SCHEMBL21733289 0.82 ALDH1A1 (0.54) ALDH1A1GAATSHREPHX1JAK2
SCHEMBL30216252 0.82 ALDH1A1 (0.54) ALDH1A1GAATSHREPHX1JAK2
SCHEMBL18375758 0.81 SMN1; SMN2 (0.55) JAK2JAK1TYK2
SCHEMBL21774861 0.79 SMYD3 (0.50) HDAC11
SCHEMBL21774864 0.79 SMYD3 (0.50) HDAC11
SCHEMBL29591197 0.78 ALDH1A1 (0.59) ALDH1A1GAATSHREPHX1JAK2
SCHEMBL30151694 0.78 ALDH1A1 (0.59) ALDH1A1GAATSHREPHX1JAK2

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 ALDH1A1 444/4885GAA 660/4885TSHR 2596/4885
US-20200071333-A1 PYRROLO[1,2-b]PYRIDAZINE DERIVATIVES CYP11B2, CYP11B1, DHPS ALDH1A1 444/4885GAA 660/4885TSHR 2596/4885

“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.