SCHEMBL16631631

SCHEMBL16631631

CCCCOc1nc(F)c(Br)nc1C

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA9 Q16790 1/20 0.36
TSHR P16473 2/20 0.35
CHRM1 P11229 2/20 0.34
CDK1 P06493 1/20 0.34
CCNB1 P14635 1/20 0.34
CCNA2 P20248 1/20 0.34
CDK2 P24941 1/20 0.34
CCNA1 P78396 1/20 0.34
PIN1 Q13526 1/20 0.34
PDE2A O00408 2/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
MAPT P10636 2/20 0.32
KDM4E B2RXH2 1/20 0.32
GALR3 O60755 1/20 0.32
LMNA P02545 1/20 0.32
POLB P06746 1/20 0.32

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
SCHEMBL16631624 0.75 THRA (0.38) CA12CA1CA2CA9TSHR
SCHEMBL16631963 0.72 CDK1 (0.36) CA12CA1CA2CA9TSHR
SCHEMBL16631949 0.72 CCR4 (0.41) CA12CA1CA2CA9TSHR
SCHEMBL16631695 0.71 GABRP (0.33) CA12CA1CA2CA9TSHR
SCHEMBL18291047 0.69 THRA (0.37) MEN1KMT2AKDM4EPOLBSMN1; SMN2
SCHEMBL13896724 0.68 MAPT (0.37) CA12CA1CA2CA9TSHR
SCHEMBL29961911 0.68 TSHR (0.43) TSHRCHRM1CDK1CCNB1CCNA2
SCHEMBL28389768 0.68 TSHR (0.43) TSHRCHRM1CDK1CCNB1CCNA2
SCHEMBL16631663 0.66 MAPT (0.35) TSHRMEN1KMT2AMAPTKDM4E
SCHEMBL16631607 0.66 MEN1 (0.36) CA12CA1CA2CA9TSHR

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-20160264614-A1 POLYNUCLEOTIDE MOLECULES AND USES THEREOF MODERNA THERAPEUTICS, INC. (US) 2016-09-15 US disclosed
WO-2015051173-A2 POLYNUCLEOTIDE MOLECULES AND USES THEREOF MODERNA THERAPEUTICS, INC (US) 2015-04-09 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-20160264614-A1 POLYNUCLEOTIDE MOLECULES AND USES THEREOF POLRMT, POLN, NSUN3 CA12 4531/4885CA1 4873/4885CA2 4807/4885

“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.