SCHEMBL16631789

SCHEMBL16631789

CCCCOc1ncc(I)cc1C

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 8/20 0.40
CYP2C19 P33261 7/20 0.40
CYP2D6 P10635 6/20 0.40
CYP3A4 P08684 4/20 0.40
CYP19A1 P11511 7/20 0.36
CYP1A2 P05177 3/20 0.34
CA12 O43570 1/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
CA9 Q16790 1/20 0.34
NPC1 O15118 2/20 0.34
RAB9A P51151 2/20 0.34
KDM4E B2RXH2 1/20 0.34
GAA P10253 1/20 0.34
CNR2 P34972 1/20 0.33
CDK1 P06493 1/20 0.33
CCNB1 P14635 1/20 0.33
CCNA2 P20248 1/20 0.33
CDK2 P24941 1/20 0.33
CCNA1 P78396 1/20 0.33

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
SCHEMBL19313508 0.82 TSHR (0.40)
SCHEMBL6624235 0.77 MAPK8 (0.37) KDM4EGAAHSD17B10
SCHEMBL6624693 0.76 KDM4E (0.45) NPC1RAB9AKDM4ECNR2SMN1; SMN2
SCHEMBL1020594 0.75 RECQL (0.35)
SCHEMBL29955190 0.75 CA1 (0.35) CYP2C9CYP2C19CYP2D6CYP3A4CYP19A1
SCHEMBL6624700 0.74 CNR2 (0.37) CYP2C9CYP2C19CYP2D6CYP3A4CYP19A1
SCHEMBL6625524 0.74 MEN1 (0.44) CYP3A4CA12CA1CA2CA9
SCHEMBL27564811 0.73 CNR2 (0.36) CYP2C9CYP2C19CYP2D6CYP3A4CYP19A1
SCHEMBL1505647 0.73 TSHR (0.54) CYP3A4KDM4EHSD17B10
SCHEMBL6627241 0.72 CNR2 (0.38) CNR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170175129-A1 ALTERNATIVE NUCLEIC ACID MOLECULES AND USES THEREOF MODERNA THERAPEUTICS INC (US) 2017-06-22 US disclosed
US-20170136131-A1 ALTERNATIVE NUCLEIC ACID MOLECULES AND USES THEREOF Modema Therapeutics, Inc. (US) 2017-05-18 US disclosed
US-20170136132-A1 ALTERNATIVE NUCLEIC ACID MOLECULES AND USES THEREOF MODERNA THERAPEUTICS, INC. (US) 2017-05-18 US disclosed
US-20160264614-A1 POLYNUCLEOTIDE MOLECULES AND USES THEREOF MODERNA THERAPEUTICS, INC. (US) 2016-09-15 US disclosed
EP-3053585-A1 ALTERNATIVE NUCLEIC ACID MOLECULES AND USES THEREOF Moderna Therapeutics, Inc. (US) 2016-08-10 EP disclosed
EP-2918275-B1 Alternative nucleic acid molecules and uses thereof MODERNA THERAPEUTICS INC (US) 2016-05-18 EP disclosed
WO-2015196118-A1 ALTERNATIVE NUCLEIC ACID MOLECULES AND USES THEREOF MODERNA THERAPEUTICS, INC. (US) 2015-12-23 WO disclosed
WO-2015196130-A2 ALTERNATIVE NUCLEIC ACID MOLECULES AND USES THEREOF MODERNA THERAPEUTICS, INC. (US) 2015-12-23 WO disclosed
EP-2918275-A1 Alternative nucleic acid molecules and uses thereof Roy, Atanu (US) 2015-09-16 EP disclosed
US-20150167017-A1 ALTERNATIVE NUCLEIC ACID MOLECULES AND USES THEREOF MODERNA THERAPEUTICS, INC. 2015-06-18 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 (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-20160264614-A1 POLYNUCLEOTIDE MOLECULES AND USES THEREOF POLRMT, POLN, NSUN3 CYP2C9 4799/4885CYP2C19 4850/4885CYP2D6 4668/4885
US-20170136132-A1 ALTERNATIVE NUCLEIC ACID MOLECULES AND USES THEREOF NSUN2, RNGTT, NSUN3 CYP2C9 4654/4885CYP2C19 4750/4885CYP2D6 4352/4885
US-20170175129-A1 ALTERNATIVE NUCLEIC ACID MOLECULES AND USES THEREOF NSUN2, RNGTT, NSUN3 CYP2C9 4654/4885CYP2C19 4750/4885CYP2D6 4352/4885
US-20170136131-A1 ALTERNATIVE NUCLEIC ACID MOLECULES AND USES THEREOF NSUN2, RNGTT, NSUN3 CYP2C9 4654/4885CYP2C19 4750/4885CYP2D6 4352/4885

“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.