SCHEMBL20975003

SCHEMBL20975003

N#CC[C@H]1CN(c2ncnc3c2CCN(c2cccc4ccccc24)C3)CCN1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KRAS P01116 18/20 0.45
▸ HTR3E A5X5Y0 1/20 0.36
▸ HTR3B O95264 1/20 0.36
▸ CYP1A2 P05177 1/20 0.36
▸ HTR1A P08908 1/20 0.36
▸ CYP2D6 P10635 1/20 0.36
▸ NCF1 P14598 1/20 0.36
▸ TSHR P16473 1/20 0.36
▸ NFKB1 P19838 1/20 0.36
▸ HTR1D P28221 1/20 0.36
▸ HTR1B P28222 1/20 0.36
▸ HTR2A P28223 1/20 0.36
▸ HTR7 P34969 1/20 0.36
▸ MTOR P42345 1/20 0.36
▸ HTR3A P46098 1/20 0.36
▸ HTR5A P47898 1/20 0.36
▸ HTR6 P50406 1/20 0.36
▸ HTR3D Q70Z44 1/20 0.36
▸ HTR3C Q8WXA8 1/20 0.36
▸ HSD17B10 Q99714 1/20 0.36

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
SCHEMBL30188727 1.00 KRAS (0.45) KRASHTR3EHTR3BCYP1A2HTR1A
SCHEMBL30188964 0.87 KRAS (0.47) KRASVHLCDK7CCNHMNAT1
SCHEMBL19947842 0.87 KRAS (0.47) KRASVHLCDK7CCNHMNAT1
SCHEMBL19948802 0.87 KRAS (0.47) KRASVHLCDK7CCNHMNAT1
SCHEMBL21777139 0.83 KRAS (0.45) KRASVHLCDK7CCNHMNAT1
SCHEMBL21777128 0.83 KRAS (0.45) KRASVHLCDK7CCNHMNAT1
SCHEMBL30547333 0.83 KRAS (0.45) KRASVHLCDK7CCNHMNAT1
SCHEMBL19948362 0.83 KRAS (0.51) KRASVHLCDK7CCNHMNAT1
SCHEMBL30188783 0.83 KRAS (0.51) KRASVHLCDK7CCNHMNAT1
SCHEMBL19948347 0.83 KRAS (0.51) KRASVHLCDK7CCNHMNAT1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111989321-B KRAS G12C inhibitors 米拉蒂治疗股份有限公司 2024-05-14 — — CN disclosed
US-20240101553-A1 KRAS G12C INHIBITORS MIRATI THERAPEUTICS INC (US) 2024-03-28 — — US disclosed
US-20230373999-A1 KRAS G12C INHIBITORS MIRATI THERAPEUTICS INC (US) 2023-11-23 — — US disclosed
EP-3710439-B1 KRAS G12C INHIBITORS MIRATI THERAPEUTICS INC (US) 2023-02-15 — — EP disclosed
EP-3710439-B1 KRAS G12C INHIBITORS MIRATI THERAPEUTICS INC (US) 2023-02-15 — — EP disclosed
US-20200262837-A1 KRAS G12C INHIBITORS ARRAY BIOPHARMA INC. 2020-08-20 — — US disclosed
US-10689377-B2 KRas G12C inhibitors Mirati Therapeutics, Inc. (US) 2020-06-23 — — US disclosed
US-20190144444-A1 KRAS G12C INHIBITORS Mirati Therapeutics, Inc. 2019-05-16 — — 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 (5 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-20190144444-A1 KRAS G12C INHIBITORS KRAS, NRAS, HRAS KRAS 1/4885HTR3E 4572/4885HTR3B 4774/4885
US-20200262837-A1 KRAS G12C INHIBITORS KRAS, NRAS, HRAS KRAS 1/4885HTR3E 4572/4885HTR3B 4774/4885
US-10689377-B2 KRas G12C inhibitors KRAS, NRAS, HRAS KRAS 1/4885HTR3E 4572/4885HTR3B 4774/4885
US-20240101553-A1 KRAS G12C INHIBITORS KRAS, NRAS, HRAS KRAS 1/4885HTR3E 4572/4885HTR3B 4774/4885
US-20230373999-A1 KRAS G12C INHIBITORS KRAS, NRAS, HRAS KRAS 1/4885HTR3E 4572/4885HTR3B 4774/4885

“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.

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