SCHEMBL21543340

SCHEMBL21543340

O=C(O)Nc1cn(Cc2ccccc2)nc1C1CC1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCD O00767 2/20 0.45
SCD5 Q86SK9 1/20 0.44
KLKB1 P03952 3/20 0.42
KCNJ6 P48051 2/20 0.42
KCNJ5 P48544 2/20 0.42
KCNJ3 P48549 2/20 0.42
CACNA1G O43497 2/20 0.41
CACNA1I Q9P0X4 2/20 0.41
EPHX2 P34913 1/20 0.41
HDAC1 Q13547 1/20 0.40
HDAC7 Q8WUI4 1/20 0.40
PARP1 P09874 1/20 0.40
AADAT Q8N5Z0 2/20 0.39
CACNA1H O95180 1/20 0.39
CYP19A1 P11511 1/20 0.39
JAK1 P23458 1/20 0.39
IKBKB O14920 1/20 0.39
ADORA3 P0DMS8 2/20 0.39
ADORA2A P29274 1/20 0.39
ADORA2B P29275 1/20 0.39

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
SCHEMBL21542778 0.87 ALDH1A1 (0.42) SCDSCD5KLKB1KCNJ6KCNJ5
SCHEMBL21567564 0.84 KMT2A (0.47) SCDSCD5GAA
SCHEMBL25678892 0.77 NPC1 (0.47) KLKB1HDAC1HDAC7AADATCYP19A1
SCHEMBL4267127 0.77 GAA (0.56) SCDKLKB1HDAC1HDAC7ADORA3
SCHEMBL24705709 0.75 KLKB1 (0.36) SCDSCD5KLKB1AADATCYP19A1
SCHEMBL21543007 0.75 CYP19A1 (0.44) KLKB1PARP1AADATCYP19A1ADORA3
SCHEMBL25680697 0.75 CYP19A1 (0.44) SCDSCD5KLKB1EPHX2AADAT
SCHEMBL16247156 0.67 KLKB1 (0.59) KLKB1
SCHEMBL25761633 0.67 SCD (0.46) SCDKLKB1CACNA1GCACNA1IHDAC1
SCHEMBL16246815 0.65 KLKB1 (0.58) KLKB1EPHX2CYP19A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240050430-A1 KRAS G12C INHIBITORS AND METHODS OF USING THE SAME AMGEN INC. 2024-02-15 US disclosed
EP-3788038-B1 KRAS G12C INHIBITORS AND METHODS OF USING THE SAME AMGEN INC (US) 2023-10-11 EP disclosed
US-11766436-B2 KRAS G12C inhibitors and methods of using the same AMGEN INC. (US) 2023-09-26 US disclosed
US-20220395504-A1 KRAS G12C INHIBITORS AND METHODS OF USING THE SAME AMGEN INC. 2022-12-15 US disclosed
US-11090304-B2 KRAS G12C inhibitors and methods of using the same AMGEN INC. (US) 2021-08-17 US disclosed
EP-3788038-A1 KRAS G12C INHIBITORS AND METHODS OF USING THE SAME Amgen Inc. (US) 2021-03-10 EP disclosed
US-20190343838-A1 KRAS G12C INHIBITORS AND METHODS OF USING THE SAME AMGEN INC. 2019-11-14 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-20190343838-A1 KRAS G12C INHIBITORS AND METHODS OF USING THE SAME KRAS, NRAS, HRAS SCD 2780/4885SCD5 3497/4885KLKB1 4275/4885
US-11090304-B2 KRAS G12C inhibitors and methods of using the same KRAS, NRAS, HRAS SCD 2780/4885SCD5 3497/4885KLKB1 4275/4885
US-20220395504-A1 KRAS G12C INHIBITORS AND METHODS OF USING THE SAME KRAS, NRAS, HRAS SCD 2780/4885SCD5 3497/4885KLKB1 4275/4885
US-20240050430-A1 KRAS G12C INHIBITORS AND METHODS OF USING THE SAME KRAS, NRAS, HRAS SCD 2780/4885SCD5 3497/4885KLKB1 4275/4885
US-11766436-B2 KRAS G12C inhibitors and methods of using the same KRAS, NRAS, HRAS SCD 2780/4885SCD5 3497/4885KLKB1 4275/4885

“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.