SCHEMBL24977403

SCHEMBL24977403

Cc1c(Br)cnn1CC(F)F

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GFER P55789 1/20 0.35
ALDH1A1 P00352 4/20 0.34
NPC1 O15118 3/20 0.34
MAPT P10636 3/20 0.34
RAB9A P51151 3/20 0.34
SMN1; SMN2 Q16637 3/20 0.34
MITF O75030 2/20 0.34
S1PR4 O95977 2/20 0.34
S1PR1 P21453 2/20 0.34
LMNA P02545 2/20 0.33
HTR2A P28223 2/20 0.31
HTR2C P28335 2/20 0.31
TSHR P16473 1/20 0.31
KMT2A Q03164 1/20 0.30
HPGD P15428 1/20 0.30
PPARG P37231 1/20 0.30
OPRD1 P41143 1/20 0.30
OPRK1 P41145 1/20 0.30
HTT P42858 1/20 0.30
NCOA2 Q15596 1/20 0.30

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
SCHEMBL30277484 0.82 GRM2 (0.40) GFERALDH1A1NPC1MAPTRAB9A
SCHEMBL31150497 0.79 CSNK2A1 (0.38) GFERALDH1A1NPC1MAPTRAB9A
SCHEMBL25320454 0.79 CSNK2A1 (0.38) GFERALDH1A1NPC1MAPTRAB9A
SCHEMBL23284541 0.77 NPC1 (0.31) ALDH1A1NPC1MAPTRAB9ASMN1; SMN2
SCHEMBL29173423 0.77 HTR2A (0.34) HTR2AHTR2CTSHR
SCHEMBL30508823 0.77 ALDH1A1 (0.33) ALDH1A1NPC1MAPTRAB9ASMN1; SMN2
SCHEMBL24896750 0.76 HTR2A (0.32) HTR2AHTR2C
SCHEMBL13990286 0.75
SCHEMBL31573483 0.74 HTR2A (0.34) ALDH1A1NPC1MAPTRAB9ASMN1; SMN2
SCHEMBL30508647 0.73 CYP17A1 (0.40) ALDH1A1NPC1MAPTRAB9ASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230151016-A1 PYRROLIDINE-PYRAZOLES AS PYRUVATE KINASE ACTIVATORS GLOBAL BLOOD THERAPEUTICS INC (US) 2023-05-18 US disclosed
US-20230151016-A1 PYRROLIDINE-PYRAZOLES AS PYRUVATE KINASE ACTIVATORS GLOBAL BLOOD THERAPEUTICS INC (US) 2023-05-18 US disclosed
US-20230151016-A1 PYRROLIDINE-PYRAZOLES AS PYRUVATE KINASE ACTIVATORS GLOBAL BLOOD THERAPEUTICS INC (US) 2023-05-18 US disclosed
US-11566030-B2 Substituted 2,6-dihydropyrrolo[3,4-c]pyrazoles as pyruvate kinase activators GLOBAL BLOOD THERAPEUTICS, INC. (US) 2023-01-31 US disclosed
US-11566030-B2 Substituted 2,6-dihydropyrrolo[3,4-c]pyrazoles as pyruvate kinase activators GLOBAL BLOOD THERAPEUTICS, INC. (US) 2023-01-31 US disclosed
US-20220267337-A1 PYRROLIDINE-PYRAZOLES AS PYRUVATE KINASE ACTIVATORS GLOBAL BLOOD THERAPEUTICS, INC. 2022-08-25 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 (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-11566030-B2 Substituted 2,6-dihydropyrrolo[3,4-c]pyrazoles as pyruvate kinase activators PDK1, PDK2, PDK3 GFER 4597/4885ALDH1A1 1703/4885NPC1 3234/4885
US-20220267337-A1 PYRROLIDINE-PYRAZOLES AS PYRUVATE KINASE ACTIVATORS PDK1, PDK2, PKM GFER 4691/4885ALDH1A1 1784/4885NPC1 2868/4885
US-20230151016-A1 PYRROLIDINE-PYRAZOLES AS PYRUVATE KINASE ACTIVATORS PDK1, PDK2, PKM GFER 4691/4885ALDH1A1 1784/4885NPC1 2868/4885

“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.