SCHEMBL22644516

SCHEMBL22644516

NC(=O)c1ccnc(N2C[C@H]3CC(C(=O)N4N=CC[C@@H]4c4cc(F)ccc4F)C[C@H]3C2)n1

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 2/20 0.39
NR1H3 Q13133 1/20 0.39
RBP4 P02753 4/20 0.38
RIPK1 Q13546 3/20 0.38
HTR1A P08908 2/20 0.37
NTRK1 P04629 3/20 0.34
JAK2 O60674 2/20 0.34
SLC6A9 P48067 1/20 0.34
HCRTR1 O43613 5/20 0.34
HCRTR2 O43614 5/20 0.34

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
SCHEMBL29730178 1.00 NR1H2 (0.39) NR1H2NR1H3RBP4RIPK1HTR1A
SCHEMBL22638850 1.00 NR1H2 (0.39) NR1H2NR1H3RBP4RIPK1HTR1A
SCHEMBL30968257 1.00 NR1H2 (0.39) NR1H2NR1H3RBP4RIPK1HTR1A
SCHEMBL22638804 1.00 NR1H2 (0.39) NR1H2NR1H3RBP4RIPK1HTR1A
SCHEMBL22638805 1.00 NR1H2 (0.39) NR1H2NR1H3RBP4RIPK1HTR1A
SCHEMBL22638974 1.00 NR1H2 (0.39) NR1H2NR1H3RBP4RIPK1HTR1A
SCHEMBL22638897 1.00 NR1H2 (0.39) NR1H2NR1H3RBP4RIPK1HTR1A
SCHEMBL22638852 1.00 NR1H2 (0.39) NR1H2NR1H3RBP4RIPK1HTR1A
SCHEMBL22638952 1.00 NR1H2 (0.39) NR1H2NR1H3RBP4RIPK1HTR1A
SCHEMBL20166537 0.88 RIPK1 (0.51) NR1H2NR1H3RIPK1HTR1ANTRK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113767092-B Di-heterocyclic carbonyl substituted dihydropyrazoles, their preparation and their use in medicine 劲方医药科技(上海)有限公司 2024-07-16 CN disclosed
US-20220235032-A1 BISHETEROCYCLIC CARBONYL SUBSTITUTED DIHYDROPYRAZOLE COMPOUND, PREPARATION METHOD THEREFOR AND PHARMACEUTICAL USE THEREOF GENFLEET THERAPEUTICS (SHANGHAI) INC. (CN) 2022-07-28 US disclosed
US-20220235032-A1 BISHETEROCYCLIC CARBONYL SUBSTITUTED DIHYDROPYRAZOLE COMPOUND, PREPARATION METHOD THEREFOR AND PHARMACEUTICAL USE THEREOF GENFLEET THERAPEUTICS (SHANGHAI) INC. (CN) 2022-07-28 US disclosed
EP-3967682-A1 BISHETEROCYCLIC CARBONYL SUBSTITUTED DIHYDROPYRAZOLE COMPOUND, PREPARATION METHOD THEREFOR AND PHARMACEUTICAL USE THEREOF Genfleet Therapeutics (Shanghai) Inc. (CN) 2022-03-16 EP disclosed
WO-2020224656-A1 BISHETEROCYCLIC CARBONYL SUBSTITUTED DIHYDROPYRAZOLE COMPOUND, PREPARATION METHOD THEREFOR AND PHARMACEUTICAL USE THEREOF 劲方医药科技(上海)有限公司 2020-11-12 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 (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-20220235032-A1 BISHETEROCYCLIC CARBONYL SUBSTITUTED DIHYDROPYRAZOLE COMPOUND, PREPARATION METHOD THEREFOR AND PHARMACEUTICAL USE THEREOF RIPK1, RIPK4, RIPK3 NR1H2 1230/4885NR1H3 1007/4885RBP4 4419/4885

“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.