SCHEMBL19998252

SCHEMBL19998252

C=C1CCc2cccc3c2N1CC3

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA4 P22748 1/20 0.41
CA7 P43166 1/20 0.41
CA9 Q16790 1/20 0.41
HTR2C P28335 2/20 0.38
CES1 P23141 2/20 0.36
GAA P10253 2/20 0.35
KDM4E B2RXH2 1/20 0.35
MEN1 O00255 1/20 0.35
ALDH1A1 P00352 1/20 0.35
LMNA P02545 1/20 0.35
MAPT P10636 1/20 0.35
HPGD P15428 1/20 0.35
KMT2A Q03164 1/20 0.35
NOTUM Q6P988 1/20 0.35
MAP2K1 Q02750 1/20 0.34
ACHE P22303 1/20 0.34
CYP11B1 P15538 6/20 0.33

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
Pyroquilon SCHEMBL22234 0.75 MAP2K1 (0.55) CA12CA1CA2CA4CA7
Pyroquilon SCHEMBL8820252 0.75 MAP2K1 (0.55) CA12CA1CA2CA4CA7
Pyroquilon SCHEMBL29473240 0.75 MAP2K1 (0.55) CA12CA1CA2CA4CA7
Pyroquilon SCHEMBL19409911 0.73 MAP2K1 (0.54) CA12CA1CA2CA4CA7
Pyroquilon SCHEMBL29473172 0.73 MAP2K1 (0.54) CA12CA1CA2CA4CA7
Pyroquilon SCHEMBL29473298 0.72 MAP2K1 (0.53) CA12CA1CA2CA4CA7
Pyroquilon SCHEMBL29473299 0.72 MAP2K1 (0.53) CA12CA1CA2CA4CA7
SCHEMBL14281840 0.68 GAA (0.49) CA12CA1CA2CA4CA7
SCHEMBL7247820 0.68 CES1 (0.49) CA12CA1CA2CA4CA7
SCHEMBL31649829 0.68 CES1 (0.49) CA12CA1CA2CA4CA7

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-20180086752-A1 COMPOSITIONS AND METHODS OF TARGETING MUTANT K-RAS NANTBIO, INC. 2018-03-29 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-20180086752-A1 COMPOSITIONS AND METHODS OF TARGETING MUTANT K-RAS KRAS, NRAS, HRAS CA12 4307/4885CA1 3898/4885CA2 3914/4885

“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.