SCHEMBL22689192

SCHEMBL22689192

O=c1[nH]c(C2CCNC2)cc2ccc(Br)cc12

nearest known ligand 0.45

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CDC7 O00311 3/20 0.45
PIM1 P11309 3/20 0.45
CSNK2B P67870 3/20 0.45
CSNK2A1 P68400 3/20 0.45
CCNK O75909 2/20 0.35
CDK12 Q9NYV4 2/20 0.35
TYMS P04818 2/20 0.35
MAP2K1 Q02750 1/20 0.34
SLC6A4 P31645 1/20 0.34
ROCK1 Q13464 1/20 0.34

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
SCHEMBL30496079 0.84 CCNT1 (0.43) SLC6A4
SCHEMBL25432261 0.84 CCNT1 (0.43) SLC6A4
Hydrochloric Acid SCHEMBL3442222 0.81 KDM4E (0.44)
SCHEMBL22701213 0.79 MAP2K1 (0.36) CDC7PIM1CSNK2BCSNK2A1CCNK
SCHEMBL22689349 0.76 CCNK (0.38) CDC7PIM1CSNK2BCSNK2A1CCNK
SCHEMBL22701228 0.76 PIM1 (0.55) CDC7PIM1CSNK2BCSNK2A1TYMS
Hydrochloric Acid SCHEMBL3442229 0.71 KDM4E (0.46)
Bromide SCHEMBL6643622 0.71 KDM4E (0.46)
SCHEMBL6644527 0.70 MAPT (0.41) CDC7PIM1CSNK2BCSNK2A1
SCHEMBL3443155 0.70 PARP14 (0.44) CCNKCDK12

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-20220227729-A1 IDENTIFICATION AND USE OF KRAS INHIBITORS BAYER AKTIENGESELLSCHAFT (DE) 2022-07-21 US disclosed
EP-3972963-A1 IDENTIFICATION AND USE OF KRAS INHIBITORS Bayer Aktiengesellschaft (DE) 2022-03-30 EP disclosed
WO-2020234103-A1 IDENTIFICATION AND USE OF KRAS INHIBITORS BAYER AKTIENGESELLSCHAFT (DE) 2020-11-26 WO disclosed
WO-2020234103-A1 IDENTIFICATION AND USE OF KRAS INHIBITORS BAYER AKTIENGESELLSCHAFT (DE) 2020-11-26 WO 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-20220227729-A1 IDENTIFICATION AND USE OF KRAS INHIBITORS KRAS, NRAS, BRCA1 CDC7 1265/4885PIM1 839/4885CSNK2B 1559/4885

“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.