SCHEMBL19521380

SCHEMBL19521380

CCCn1cc(-n2cc(-c3ccc(N)cc3F)cn2)ccc1=O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MELK Q14680 1/20 0.38
▸ CREBBP Q92793 2/20 0.33
▸ NPY5R Q15761 1/20 0.33
▸ BACE1 P56817 3/20 0.33
▸ BACE2 Q9Y5Z0 3/20 0.33
▸ ADORA2A P29274 3/20 0.33
▸ ADORA2B P29275 3/20 0.33
▸ ADORA1 P30542 3/20 0.33
▸ FEN1 P39748 4/20 0.33
▸ ALOX5AP P20292 1/20 0.33
▸ CALML3 P27482 1/20 0.33
▸ NPC1 O15118 1/20 0.33
▸ LMNA P02545 1/20 0.33
▸ HPGD P15428 1/20 0.33
▸ TSHR P16473 1/20 0.33
▸ RAB9A P51151 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ USP30 Q70CQ3 2/20 0.32
▸ NR3C1 P04150 1/20 0.32
▸ ADORA3 P0DMS8 2/20 0.32

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
SCHEMBL19521374 0.87 TNKS2 (0.36) MELKCREBBPBACE1BACE2ADORA2A
SCHEMBL19521350 0.86 GLA (0.38) CREBBPADORA2AADORA2BADORA1TSHR
SCHEMBL19521382 0.84 BRD4 (0.39) CREBBP
SCHEMBL19521325 0.83 MELK (0.40) MELKCREBBPNPY5RADORA2AADORA2B
SCHEMBL19962963 0.83 GABRA2 (0.41) MELKCREBBPNPY5RADORA2AADORA2B
SCHEMBL19541542 0.82 PGR (0.39) MELKNR3C1
SCHEMBL21130659 0.82 GABRA2 (0.37) MELKCREBBPNPY5RADORA2AADORA2B
SCHEMBL19541537 0.82 PGR (0.42) NR3C1
SCHEMBL19962910 0.81 MELK (0.40) MELKCREBBPNPY5RTSHRNR3C1
SCHEMBL19962916 0.80 RIPK2 (0.41) MELKBACE1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230119547-A1 DI-SUBSTITUTED PYRAZOLE COMPOUNDS FOR THE TREATMENT OF DISEASES FGH BIOTECH INC (US) 2023-04-20 — — US claimed
US-20230119547-A1 DI-SUBSTITUTED PYRAZOLE COMPOUNDS FOR THE TREATMENT OF DISEASES FGH BIOTECH INC (US) 2023-04-20 — — US disclosed
US-11497738-B2 Di-substituted pyrazole compounds for the treatment of diseases FGH BIOTECH, INC. (US) 2022-11-15 — — US disclosed
EP-3448851-B1 DI-SUBSTITUTED PYRAZOLE COMPOUNDS FOR THE TREATMENT OF DISEASES FGH BIOTECH INC (US) 2022-03-23 — — EP disclosed
CN-109476635-B Disubstituted pyrazoles for treatment of diseases FGH生物科技公司 2021-07-13 — — CN disclosed
US-20190134017-A1 DI-SUBSTITUTED PYRAZOLE COMPOUNDS FOR THE TREATMENT OF DISEASES NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2019-05-09 — — US disclosed
WO-2017190086-A1 DI-SUBSTITUTED PYRAZOLE COMPOUNDS FOR THE TREATMENT OF DISEASES FGH BIOTECH, INC. (US) 2017-11-02 — — 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 (3 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-20190134017-A1 DI-SUBSTITUTED PYRAZOLE COMPOUNDS FOR THE TREATMENT OF DISEASES SREBF1, SREBF2, CYP27A1 MELK 1854/4885CREBBP 136/4885NPY5R 2122/4885
US-20230119547-A1 DI-SUBSTITUTED PYRAZOLE COMPOUNDS FOR THE TREATMENT OF DISEASES SREBF1, SREBF2, CYP27A1 MELK 1854/4885CREBBP 136/4885NPY5R 2122/4885
US-11497738-B2 Di-substituted pyrazole compounds for the treatment of diseases SREBF1, SREBF2, CYP27A1 MELK 1854/4885CREBBP 136/4885NPY5R 2122/4885

“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.

Send feedback