SCHEMBL18074092

SCHEMBL18074092

N[C@@H]1CCC(Nc2ncc(Cl)c(-c3cn(-c4ccccc4)c4ccccc34)n2)C1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CDK7 P50613 13/20 0.69
▸ CCNT1 O60563 13/20 0.69
▸ CDK9 P50750 12/20 0.69
▸ CCNH P51946 10/20 0.69
▸ MNAT1 P51948 8/20 0.69
▸ CDK2 P24941 8/20 0.49
▸ CCNE1 P24864 7/20 0.49
▸ CSNK1A1 P48729 1/20 0.46
▸ CSNK1D P48730 1/20 0.46
▸ CSNK1E P49674 1/20 0.46
▸ CCNK O75909 9/20 0.42
▸ CDK12 Q9NYV4 9/20 0.42
▸ KDM4E B2RXH2 1/20 0.42
▸ POLB P06746 1/20 0.42
▸ CTDSP1 Q9GZU7 1/20 0.42
▸ MAPK6 Q16659 1/20 0.42
▸ CRBN Q96SW2 1/20 0.41
▸ MKNK1 Q9BUB5 1/20 0.40
▸ MKNK2 Q9HBH9 1/20 0.40
▸ JUN P05412 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
SCHEMBL20412342 0.94 CDK7 (0.72) CDK7CCNT1CDK9CCNHMNAT1
SCHEMBL19040097 0.94 CDK7 (0.72) CDK7CCNT1CDK9CCNHMNAT1
SCHEMBL18074089 0.86 CCNT1 (0.65) CDK7CCNT1CDK9CCNHMNAT1
SCHEMBL19040114 0.86 CDK7 (0.60) CDK7CCNT1CDK9CCNHMNAT1
SCHEMBL19040179 0.85 CDK7 (0.72) CDK7CCNT1CDK9CCNHMNAT1
SCHEMBL18074047 0.85 CDK7 (0.51) CDK7CCNT1CDK9CCNHMNAT1
SCHEMBL16665579 0.85 CDK7 (0.51) CDK7CCNT1CDK9CCNHMNAT1
SCHEMBL21397204 0.85 CDK7 (0.51) CDK7CCNT1CDK9CCNHMNAT1
SCHEMBL19040155 0.83 CDK9 (0.57) CDK7CCNT1CDK9CCNHMNAT1
SCHEMBL19040152 0.82 CCNT1 (0.56) CDK7CCNT1CDK9CCNHMNAT1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160264552-A1 HETEROMAROMATIC COMPOUNDS USEFUL FOR THE TREATMENT OF PROLFERATIVE DISEASES SYROS PHARMACEUTICALS INC (US) 2016-09-15 — — 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 (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-20160264552-A1 HETEROMAROMATIC COMPOUNDS USEFUL FOR THE TREATMENT OF PROLFERATIVE DISEASES CDK7, CDK6, CDK3 CDK7 1/4885CCNT1 33/4885CDK9 12/4885

“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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