SCHEMBL2948307

SCHEMBL2948307

Clc1nc(NC2CCCNC2)c2nc[nH]c2n1

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 6/20 0.42
BRD4 O60885 1/20 0.41
CCNT1 O60563 7/20 0.40
CCNK O75909 7/20 0.40
CCNE1 P24864 7/20 0.40
CDK2 P24941 7/20 0.40
CDK9 P50750 7/20 0.40
CDK12 Q9NYV4 7/20 0.40
AURKA O14965 2/20 0.39
RPS6KB1 P23443 2/20 0.39
CDK7 P50613 5/20 0.39
CCNH P51946 4/20 0.39
CRBN Q96SW2 1/20 0.39
MNAT1 P51948 3/20 0.39
PRKCI P41743 2/20 0.39
CHEK2 O96017 1/20 0.38

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
SCHEMBL14183781 0.86 KMT2A (0.49)
SCHEMBL6306635 0.86 KMT2A (0.46)
SCHEMBL5439050 0.85 KMT2A (0.51)
SCHEMBL183228 0.85 KMT2A (0.51)
SCHEMBL5442344 0.85 KMT2A (0.51)
SCHEMBL29684584 0.84 IKBKB (0.39) BRD4AURKARPS6KB1
SCHEMBL7111201 0.83 ADORA3 (0.41)
SCHEMBL16013820 0.80 BTK (0.44)
SCHEMBL4764723 0.79 ADORA3 (0.44)
SCHEMBL2953695 0.79 ADORA3 (0.44)

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-20120122840-A1 COMPOUNDS AND THERAPEUTIC USES THEREOF MYREXIS, INC. (US) 2012-05-17 US disclosed
WO-2010111406-A2 COMPOUNDS AND THERAPEUTIC USES THEREOF MYRIAD PHARMACEUTICALS, INC. (US) 2010-09-30 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-20120122840-A1 COMPOUNDS AND THERAPEUTIC USES THEREOF VHL, TP53, ASAH2 CHEK1 2783/4885BRD4 1297/4885CCNT1 3799/4885

“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.