SCHEMBL23645939

SCHEMBL23645939

c1ccc(COc2ccc(-c3n[nH]c4c3CNC4)cc2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IKBKE Q14164 1/20 0.46
HTR2C P28335 1/20 0.45
HTR2B P41595 1/20 0.45
NTRK1 P04629 1/20 0.43
GSTP1 P09211 1/20 0.43
SOS1 Q07889 1/20 0.42
LMNA P02545 2/20 0.42
CYP1A2 P05177 1/20 0.42
PTGS1 P23219 1/20 0.42
SLC6A2 P23975 1/20 0.42
CYP2C19 P33261 1/20 0.42
PTGS2 P35354 1/20 0.42
SLC6A3 Q01959 1/20 0.42
HIF1A Q16665 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42
HTR7 P34969 1/20 0.42
RAB9A P51151 3/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
GAA P10253 2/20 0.41
NPC1 O15118 2/20 0.41

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
SCHEMBL23645927 0.82 SOS1 (0.47) HTR2CHTR2BSOS1LMNAHTR7
SCHEMBL12478207 0.80 HTR7 (0.60) SOS1LMNAHTR7GAAMAPT
SCHEMBL19358406 0.76 USP7 (0.70) IKBKENTRK1MAOB
SCHEMBL5720857 0.75 AURKA (0.53) IKBKEPTGS1PTGS2RAB9ANPC1
SCHEMBL570398 0.71 IKBKE (0.48) IKBKENTRK1GSTP1LMNACYP1A2
SCHEMBL23645926 0.71 SOS1 (0.52) HTR2CHTR2BSOS1HTR7MAPT
SCHEMBL15064621 0.70 PRMT5 (0.55) IKBKENTRK1GSTP1LMNACYP1A2
SCHEMBL2494345 0.70 AS3MT (0.54) IKBKEGSTP1LMNARAB9ASMN1; SMN2
SCHEMBL197017 0.70 LMNA (0.72) GSTP1LMNACYP1A2PTGS1SLC6A2
SCHEMBL19149769 0.69 NTRK1 (0.53) IKBKENTRK1GSTP1

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-20210221813-A1 4,6 DIHYDROPYRROLO [3,4-C] PYRAZOLE-5 (1H)-CARBONITRILE DERIVATES FOR TREATING CANCER MISSION THERAPEUTICS LIMITED (AE) 2021-07-22 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-20210221813-A1 4,6 DIHYDROPYRROLO [3,4-C] PYRAZOLE-5 (1H)-CARBONITRILE DERIVATES FOR TREATING CANCER USP7, USP1, USP3 IKBKE 469/4885HTR2C 2911/4885HTR2B 3114/4885

“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.