SCHEMBL21161908

SCHEMBL21161908

COC(=O)NC(C)(C)c1ccc(N)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.41
MAPT P10636 4/20 0.40
RAB9A P51151 3/20 0.40
NPC1 O15118 2/20 0.40
ALDH1A1 P00352 2/20 0.40
MAPK1 P28482 2/20 0.40
HPGD P15428 1/20 0.40
ESRRG P62508 1/20 0.39
ACACB O00763 2/20 0.37
PTGS1 P23219 2/20 0.37
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
TDP1 Q9NUW8 2/20 0.36
LMNA P02545 1/20 0.36
POLB P06746 1/20 0.36
PKM P14618 1/20 0.36
APEX1 P27695 1/20 0.36
GAA P10253 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 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
SCHEMBL10282363 0.86 EPHX2 (0.39) EPHX2MAPTRAB9ANPC1ALDH1A1
SCHEMBL7875157 0.83 RAB9A (0.44) MAPTRAB9ANPC1ALDH1A1HPGD
SCHEMBL18814223 0.83 ACACB (0.50) MAPTALDH1A1MAPK1ACACBTDP1
SCHEMBL2815438 0.81 ACACB (0.48) EPHX2MAPTRAB9ANPC1ALDH1A1
SCHEMBL529254 0.81 EPHX2 (0.42) EPHX2MAPTRAB9ANPC1ALDH1A1
SCHEMBL8532930 0.81 KCNN4 (0.52) MAPTALDH1A1HPGDKMT2AGAA
SCHEMBL7868572 0.77 ALDH1A1 (0.38) EPHX2MAPTRAB9ANPC1ALDH1A1
SCHEMBL21161902 0.76 ALDH1A1 (0.54) MAPTALDH1A1MAPK1HPGDMEN1
SCHEMBL19345965 0.75 MAPT (0.43) EPHX2MAPTALDH1A1MAPK1HPGD
SCHEMBL3836954 0.74 IMPDH2 (0.51) EPHX2MAPTRAB9ANPC1ESRRG

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
EP-3583105-B1 PYRROLO [1,2-B]PYRIDAZINE DERIVATIVES GILEAD SCIENCES INC (US) 2024-02-07 EP disclosed
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 EPHX2 2588/4885MAPT 1424/4885RAB9A 1639/4885

“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.