SCHEMBL13230445

SCHEMBL13230445

CC(C)(C)Nc1ncnc2nc(C(F)(F)F)ccc12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 14/20 0.42
CCNE2 O96020 13/20 0.42
CCNE1 P24864 13/20 0.42
CDK4 P11802 7/20 0.42
CCND1 P24385 7/20 0.42
JAK2 O60674 1/20 0.40
JAK1 P23458 1/20 0.40
CCNA2 P20248 1/20 0.40
CCNA1 P78396 1/20 0.40
IDH1 O75874 1/20 0.39
IDH2 P48735 1/20 0.39
NPC1 O15118 1/20 0.38
LMNA P02545 1/20 0.38
TP53 P04637 1/20 0.38
HPGD P15428 1/20 0.38
RAB9A P51151 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
CD38 P28907 1/20 0.36
TRPV1 Q8NER1 1/20 0.36
EGFR P00533 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
SCHEMBL13230437 0.88 JAK2 (0.42) CDK2CCNE2CCNE1CDK4CCND1
SCHEMBL13230440 0.85 JAK2 (0.40) CDK2CCNE2CCNE1CDK4CCND1
SCHEMBL15267989 0.84 MAT2A (0.42) RAB9ATRPV1EGFR
SCHEMBL5262734 0.81 ALDH1A1 (0.43) LMNARAB9ATRPV1EGFR
SCHEMBL13262214 0.81 PTPN1 (0.40) LMNACD38TRPV1EGFR
SCHEMBL13230436 0.80 JAK2 (0.43) CDK2CCNE2CCNE1CDK4CCND1
SCHEMBL13230425 0.77 RAB9A (0.42) CDK2CCNE2CCNE1CDK4CCND1
SCHEMBL13853282 0.76 ALDH1A1 (0.39) LMNARAB9ASMN1; SMN2
SCHEMBL13230448 0.74 JAK2 (0.39) JAK2JAK1NPC1LMNATP53
SCHEMBL15268025 0.73 PDPK1 (0.41) LMNATP53HPGDTRPV1EGFR

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-8546405-B2 Anti-viral compounds ABBOTT LABORATORIES (US) 2013-10-01 US disclosed
US-8541424-B2 Anti-viral compounds ABBOTT LABORATORIES (US) 2013-09-24 US disclosed
US-20100168138-A1 Anti-Viral Compounds ABBOTT LABORATORIES (US) 2010-07-01 US disclosed
US-20100160355-A1 Anti-Viral Compounds ABBOTT LABORATORIES (US) 2010-06-24 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 (2 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-20100168138-A1 Anti-Viral Compounds HAVCR2, EIF2AK2, MAVS CDK2 113/4885CCNE2 438/4885CCNE1 932/4885
US-20100160355-A1 Anti-Viral Compounds HAVCR2, EIF2AK2, MAVS CDK2 113/4885CCNE2 438/4885CCNE1 932/4885

“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.