SCHEMBL12874296

SCHEMBL12874296

Cc1ccc(NCC2CCOCC2)nc1-c1cc(F)ncc1Cl

nearest known ligand 0.57

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CDK9 P50750 4/20 0.57
CCNK O75909 1/20 0.57
CCNT1 O60563 19/20 0.57

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
SCHEMBL1192562 0.91 CCNT1 (0.68) CDK9CCNKCCNT1
SCHEMBL1192303 0.88 CDK9 (0.57) CDK9CCNKCCNT1
SCHEMBL1191780 0.88 CCNK (0.59) CDK9CCNKCCNT1
SCHEMBL1192708 0.86 CCNT1 (0.63) CDK9CCNKCCNT1
SCHEMBL1192372 0.85 CCNK (0.61) CDK9CCNKCCNT1
SCHEMBL1191988 0.83 CCNT1 (0.59) CDK9CCNKCCNT1
SCHEMBL1439346 0.82 CCNK (0.58) CDK9CCNKCCNT1
SCHEMBL12898116 0.82 CDK9 (0.63) CDK9CCNKCCNT1
SCHEMBL1192532 0.81 CCNT1 (0.72) CDK9CCNKCCNT1
SCHEMBL1192424 0.81 CCNT1 (0.71) CDK9CCNKCCNT1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140288076-A1 HETEROARYL COMPOUNDS AND THEIR USES NOVARTIS AG (CH) 2014-09-25 US disclosed
US-8778951-B2 Heteroaryl compounds and their uses NOVARTIS AG (CH) 2014-07-15 US disclosed
US-20130303507-A1 SUBSTITUTED HETERO-BIARYL COMPOUNDS AND THEIR USES NOVARTIS AG (CH) 2013-11-14 US disclosed
US-20130172354-A1 HETEROARYL COMPOUNDS AND THEIR USES NOVARTIS AG (CH) 2013-07-04 US disclosed
US-8415381-B2 Heteroaryl compounds and their uses NOVARTIS AG (CH) 2013-04-09 US disclosed
US-20110028492-A1 Heteroaryl Compounds and Their Uses NOVARTIS AG (CH) 2011-02-03 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 (4 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-20130172354-A1 HETEROARYL COMPOUNDS AND THEIR USES CDK9, CDK19, CDK3 CDK9 1/4885CCNK 39/4885CCNT1 76/4885
US-20140288076-A1 HETEROARYL COMPOUNDS AND THEIR USES CDK9, CDK19, CDK3 CDK9 1/4885CCNK 39/4885CCNT1 76/4885
US-20110028492-A1 Heteroaryl Compounds and Their Uses CDK9, CDK19, CDK3 CDK9 1/4885CCNK 39/4885CCNT1 76/4885
US-20130303507-A1 SUBSTITUTED HETERO-BIARYL COMPOUNDS AND THEIR USES CDK9, CDK19, CDK3 CDK9 1/4885CCNK 29/4885CCNT1 50/4885

“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.