SCHEMBL22440407

SCHEMBL22440407

CSc1nc2c(c(N3CCN(C(=O)OCC#N)CC3)n1)CCNC2

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.39
KDM4E B2RXH2 4/20 0.39
HPGD P15428 3/20 0.39
NPSR1 Q6W5P4 3/20 0.39
HSD17B10 Q99714 2/20 0.39
USP2 O75604 1/20 0.39
ALOX15 P16050 1/20 0.39
RXFP1 Q9HBX9 1/20 0.39
MTOR P42345 1/20 0.35
ACACA Q13085 1/20 0.32
RAF1 P04049 1/20 0.32
BRAF P15056 1/20 0.32
MEN1 O00255 5/20 0.31
KMT2A Q03164 5/20 0.31
MAPT P10636 2/20 0.31
LMNA P02545 1/20 0.31
ADRB1 P08588 1/20 0.31
SMN1; SMN2 Q16637 2/20 0.31
HTT P42858 1/20 0.31
RAB9A P51151 1/20 0.31

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
SCHEMBL19616784 0.82 SLC29A1 (0.48) NPSR1MTORMEN1KMT2ASMN1; SMN2
SCHEMBL19949022 0.82 CCNA2 (0.41) ALDH1A1KDM4EHPGDNPSR1HSD17B10
SCHEMBL22440346 0.81 MTOR (0.40) ALDH1A1KDM4EHPGDNPSR1HSD17B10
SCHEMBL25021553 0.75 HTR2C (0.49) ALDH1A1KDM4EMTORADRB1HTR2C
SCHEMBL19948171 0.75 KRAS (0.36) MTOR
SCHEMBL19948563 0.75 KRAS (0.36) MTOR
SCHEMBL30007840 0.75 PARP1 (0.35)
SCHEMBL19637840 0.75 PARP1 (0.35)
SCHEMBL19617060 0.75 PARP1 (0.35)
SCHEMBL28500547 0.73 IDH1 (0.41)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230373999-A1 KRAS G12C INHIBITORS MIRATI THERAPEUTICS INC (US) 2023-11-23 US disclosed
EP-3710439-A1 KRAS G12C INHIBITORS Mirati Therapeutics, Inc. (US) 2020-09-23 EP 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-20230373999-A1 KRAS G12C INHIBITORS KRAS, NRAS, HRAS ALDH1A1 3370/4885KDM4E 3689/4885HPGD 1741/4885

“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.