SCHEMBL29795166

SCHEMBL29795166

Ic1ccc2ncn(C(c3ccccc3)(c3ccccc3)c3ccccc3)c2c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 3/20 0.35
CYP11B1 P15538 2/20 0.34
CYP11B2 P19099 2/20 0.34
FGFR1 P11362 4/20 0.34
HPGD P15428 3/20 0.34
ALDH1A1 P00352 1/20 0.34
MAPK1 P28482 1/20 0.34
MAPK10 P53779 1/20 0.34
NCOA1 Q15788 1/20 0.34
NCOA3 Q9Y6Q9 1/20 0.34
TNF P01375 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
HSD17B10 Q99714 1/20 0.31
SRC P12931 1/20 0.31
LMNA P02545 1/20 0.31
STAT6 P42226 1/20 0.31

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
SCHEMBL28738388 0.89 NPC1 (0.39) HTTCYP11B1CYP11B2FGFR1HPGD
SCHEMBL29447536 0.83 NPC1 (0.39) HTTCYP11B1CYP11B2FGFR1HPGD
SCHEMBL1876428 0.83 FGFR1 (0.45) HTTCYP11B1CYP11B2FGFR1HPGD
SCHEMBL3856673 0.83 FGFR1 (0.45) HTTCYP11B1CYP11B2FGFR1HPGD
SCHEMBL3037362 0.83 NPC1 (0.39) HTTCYP11B1CYP11B2FGFR1HPGD
SCHEMBL2794301 0.81 HTT (0.48) HTTCYP11B1CYP11B2FGFR1HPGD
SCHEMBL3081829 0.79 CYP11B1 (0.39) HTTCYP11B1CYP11B2MAPK1TNF
SCHEMBL6489900 0.79 FGFR1 (0.45) HTTFGFR1ALDH1A1NPC1MEN1
SCHEMBL2967845 0.79 ACSS2 (0.38) HTTCYP11B1CYP11B2FGFR1MAPK1
SCHEMBL3852750 0.77 NPC1 (0.47) HTTFGFR1HPGDALDH1A1MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220259213-A1 PYRROLOPYRAZOLE DERIVATIVES, PREPARATION METHOD THEREOF AND APPLICATION THEREOF IN MEDICINE SHANGHAI MEDICILON INC. (CN) 2022-08-18 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-20220259213-A1 PYRROLOPYRAZOLE DERIVATIVES, PREPARATION METHOD THEREOF AND APPLICATION THEREOF IN MEDICINE GIPR, REN, BDKRB1 HTT 4296/4885CYP11B1 293/4885CYP11B2 409/4885

“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.