SCHEMBL25268397

SCHEMBL25268397

Cn1c(N2CCCC(Nc3ncc(C(F)(F)F)cn3)C2)nc2cc(Br)ccc21

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.36
CCNK O75909 1/20 0.36
CDK12 Q9NYV4 1/20 0.36
IL1B P01584 4/20 0.35
NLRP3 Q96P20 3/20 0.35
MEN1 O00255 1/20 0.35
MCHR1 Q99705 1/20 0.35
LMNA P02545 1/20 0.35
MAPT P10636 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
HCRTR1 O43613 4/20 0.35
HCRTR2 O43614 3/20 0.35
CDK7 P50613 1/20 0.34
CCNH P51946 1/20 0.34
MNAT1 P51948 1/20 0.34
PTGDR2 Q9Y5Y4 1/20 0.34
IDH2 P48735 1/20 0.34
IDH1 O75874 1/20 0.34
TRPV1 Q8NER1 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
SCHEMBL30533952 1.00 KMT2A (0.36) KMT2ACCNKCDK12IL1BNLRP3
SCHEMBL25217556 1.00 KMT2A (0.36) KMT2ACCNKCDK12IL1BNLRP3
SCHEMBL25263288 0.89 CCNK (0.38) KMT2ACCNKCDK12IL1BNLRP3
SCHEMBL30533989 0.89 CCNK (0.38) KMT2ACCNKCDK12IL1BNLRP3
SCHEMBL25216715 0.89 CCNK (0.38) KMT2ACCNKCDK12IL1BNLRP3
SCHEMBL30533949 0.85 ALDH1A1 (0.41) KMT2ACCNKCDK12MEN1LMNA
SCHEMBL25260927 0.85 ALDH1A1 (0.41) KMT2ACCNKCDK12MEN1LMNA
SCHEMBL25219563 0.85 ALDH1A1 (0.41) KMT2ACCNKCDK12MEN1LMNA
SCHEMBL25219479 0.84 HCRTR1 (0.37) KMT2AIL1BNLRP3MCHR1HCRTR1
SCHEMBL25261654 0.84 HCRTR1 (0.37) KMT2AIL1BNLRP3MCHR1HCRTR1

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-20230203010-A1 BICYCLIC AMINE CDK12 INHIBITORS INCYTE CORPORATION 2023-06-29 US disclosed
WO-2023102184-A1 BICYCLIC AMINE COMPOUNDS AS CDK12 INHIBITORS INCYTE CORPORATION (US) 2023-06-08 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-20230203010-A1 BICYCLIC AMINE CDK12 INHIBITORS CDK12, CDK1, CDK2 KMT2A 289/4885CCNK 17/4885CDK12 1/4885

“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.