SCHEMBL19002222

SCHEMBL19002222

Cc1nc2ccccc2n1CCC#N

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 7/20 0.68
PKM P14618 1/20 0.56
TNF P01375 1/20 0.55
HTT P42858 3/20 0.55
TP53 P04637 2/20 0.55
KDM4E B2RXH2 2/20 0.55
MEN1 O00255 1/20 0.55
MAPK1 P28482 1/20 0.55
CASP1 P29466 1/20 0.55
CASP7 P55210 1/20 0.55
KMT2A Q03164 1/20 0.55
HSD17B10 Q99714 1/20 0.55
SMN1; SMN2 Q16637 3/20 0.54
ALDH1A1 P00352 2/20 0.54
POLB P06746 2/20 0.54
TSHR P16473 2/20 0.54
GALR3 O60755 2/20 0.53
NR2F2 P24468 2/20 0.53
RAB9A P51151 2/20 0.53
NPC1 O15118 1/20 0.53

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
SCHEMBL6446137 0.84 LMNA (0.69) LMNAPKMTNFHTTTP53
SCHEMBL25710995 0.83 TNF (0.58) LMNAPKMTNFHTTTP53
SCHEMBL24943126 0.81 LMNA (0.64) LMNAHTTTP53KDM4EMEN1
SCHEMBL18997334 0.80 LMNA (0.62) LMNAHTTTP53KDM4EMEN1
SCHEMBL229041 0.80 POLB (0.67) LMNAPKMTNFHTTTP53
SCHEMBL2330274 0.80 LMNA (0.69) LMNAPKMTNFHTTTP53
SCHEMBL13587989 0.79 LMNA (0.51) LMNAPKMTNFHTTTP53
SCHEMBL8364740 0.78 LMNA (0.64) LMNATNFHTTTP53KDM4E
SCHEMBL8365517 0.78 LMNA (0.68) LMNAHTTTP53KDM4EMEN1
SCHEMBL760728 0.78 PKM (0.60) LMNAPKMTNFHTTTP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11541041-B1 Compounds that interact with the Ras superfamily for the treatment of cancers, inflammatory diseases, Rasopathies, and fibrotic disease SHY Therapeutics LLC (US) 2023-01-03 US disclosed
US-11026930-B1 Compounds that interact with the Ras superfamily for the treatment of cancers, inflammatory diseases, rasopathies, and fibrotic disease SHY Therapeutics LLC (US) 2021-06-08 US disclosed
US-20170174699-A1 COMPOUNDS FOR THE TREATMENT OF CANCER AND INFLAMMATORY DISEASE SHY Therapeutics LLC 2017-06-22 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 (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-11026930-B1 Compounds that interact with the Ras superfamily for the treatment of cancers, inflammatory diseases, rasopathies, and fibrotic disease HRAS, KRAS, NRAS LMNA 3109/4885PKM 4532/4885TNF 1633/4885
US-11541041-B1 Compounds that interact with the Ras superfamily for the treatment of cancers, inflammatory diseases, Rasopathies, and fibrotic disease HRAS, KRAS, NRAS LMNA 3109/4885PKM 4532/4885TNF 1633/4885
US-20170174699-A1 COMPOUNDS FOR THE TREATMENT OF CANCER AND INFLAMMATORY DISEASE MAPK6, MAP3K6, MAPK4 LMNA 3509/4885PKM 1484/4885TNF 61/4885

“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.