SCHEMBL21980641

SCHEMBL21980641

Cc1[nH]c2ccc(Cl)cc2c1I

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.55
CYP1A2 P05177 1/20 0.53
GAA P10253 1/20 0.53
HPGD P15428 1/20 0.53
HTR6 P50406 4/20 0.53
HTR7 P34969 2/20 0.53
ADRA2A P08913 1/20 0.53
ADRA2B P18089 1/20 0.53
ADRA2C P18825 1/20 0.53
HTR2B P41595 1/20 0.53
IDO1 P14902 1/20 0.48
MAPT P10636 1/20 0.48
HTR1B P28222 1/20 0.48
HTR2A P28223 1/20 0.48
HTR2C P28335 1/20 0.48
HTR3A P46098 1/20 0.48
MAP3K14 Q99558 2/20 0.47
CHEK1 O14757 1/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46

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
SCHEMBL9843379 0.82 LMNA (0.56) LMNACYP1A2GAAHPGDHTR6
SCHEMBL30547019 0.82 LMNA (0.56) LMNACYP1A2GAAHPGDHTR6
SCHEMBL3632803 0.78 LMNA (0.53) LMNACYP1A2GAAHPGDHTR6
SCHEMBL1757618 0.78 LMNA (0.53) LMNACYP1A2GAAHPGDHTR6
SCHEMBL1757611 0.76 KIF11 (0.53) LMNAGAAHPGDHTR6HTR7
SCHEMBL20430545 0.76 TDP1 (0.56) LMNACYP1A2GAAHPGDHTR6
SCHEMBL24358704 0.76 HTR6 (0.65) LMNACYP1A2GAAHPGDHTR6
SCHEMBL25498024 0.76 SIRT1 (0.55) LMNACYP1A2GAAHPGDHTR6
SCHEMBL11613418 0.76 IDO1 (0.58) LMNACYP1A2GAAHPGDHTR6
SCHEMBL607827 0.75 CHUK (0.64) LMNACYP1A2GAAHPGDMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11053226-B2 KRAS G12C inhibitors and methods of using the same AMGEN INC. (US) 2021-07-06 US disclosed
US-11053226-B2 KRAS G12C inhibitors and methods of using the same AMGEN INC. (US) 2021-07-06 US disclosed
US-20200165231-A1 KRAS G12C INHIBITORS AND METHODS OF USING THE SAME AMGEN INC. 2020-05-28 US disclosed
US-20200165231-A1 KRAS G12C INHIBITORS AND METHODS OF USING THE SAME AMGEN INC. 2020-05-28 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 (2 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-11053226-B2 KRAS G12C inhibitors and methods of using the same KRAS, NRAS, HRAS LMNA 2823/4885CYP1A2 4727/4885GAA 2321/4885
US-20200165231-A1 KRAS G12C INHIBITORS AND METHODS OF USING THE SAME KRAS, NRAS, HRAS LMNA 2823/4885CYP1A2 4727/4885GAA 2321/4885

“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.