SCHEMBL4113547

SCHEMBL4113547

Cn1cnc2c(Oc3c(Cl)cc(-c4ccc(C(N)=O)cc4)cc3Cl)nc(Nc3ccc(C#N)cc3)nc21

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP2C9 P11712 4/20 0.46
▸ CYP2C19 P33261 4/20 0.46
▸ MYC P01106 4/20 0.43
▸ RORC P51449 5/20 0.41
▸ NSD2 O96028 1/20 0.40
▸ JAK2 O60674 1/20 0.39
▸ JAK1 P23458 1/20 0.39
▸ TYK2 P29597 1/20 0.39
▸ JAK3 P52333 1/20 0.39
▸ KCNH2 Q12809 3/20 0.39
▸ CYP3A4 P08684 2/20 0.39
▸ CYP2D6 P10635 2/20 0.39
▸ ABCC3 O15438 1/20 0.39
▸ ESR1 P03372 1/20 0.39
▸ CYP1A2 P05177 1/20 0.39
▸ PGR P06401 1/20 0.39
▸ CHRM2 P08172 1/20 0.39
▸ ABCB1 P08183 1/20 0.39
▸ ADRA2A P08913 1/20 0.39
▸ CHRM1 P11229 1/20 0.39

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
SCHEMBL4114139 0.95 CYP2C9 (0.51) CYP2C9CYP2C19MYCRORCNSD2
SCHEMBL4113576 0.91 CYP2C9 (0.56) CYP2C9CYP2C19MYCNSD2JAK2
SCHEMBL13561250 0.88 CYP2C9 (0.44) CYP2C9CYP2C19RORCJAK2JAK1
SCHEMBL4111667 0.87 CYP2C9 (0.46) CYP2C9CYP2C19MYCRORCNSD2
SCHEMBL13561252 0.85 CYP2C9 (0.47) CYP2C9CYP2C19JAK2JAK1TYK2
SCHEMBL4110938 0.84 CYP2C9 (0.55) CYP2C9CYP2C19MYCRORCNSD2
SCHEMBL13561273 0.84 CYP2C9 (0.55) CYP2C9CYP2C19MYCNSD2JAK2
SCHEMBL3838917 0.83 CYP2C9 (0.56) CYP2C9CYP2C19MYCRORCNSD2
SCHEMBL4100103 0.83 CYP2C9 (0.47) CYP2C9CYP2C19RORCKCNH2CYP3A4
SCHEMBL4105748 0.83 CYP2C9 (0.51) CYP2C9CYP2C19MYCRORCNSD2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8372852-B2 Purines as reverse transcriptase inhibitors ARDEA BIOSCIENCES, INC. (US) 2013-02-12 — — US disclosed
US-8372852-B2 Purines as reverse transcriptase inhibitors ARDEA BIOSCIENCES, INC. (US) 2013-02-12 — — US disclosed
US-8372852-B2 Purines as reverse transcriptase inhibitors ARDEA BIOSCIENCES, INC. (US) 2013-02-12 — — US disclosed
US-20120277206-A1 REVERSE TRANSCRIPTASE INHIBITORS Andrea Boesciences, Inc. (US) 2012-11-01 — — US disclosed
US-20120277206-A1 REVERSE TRANSCRIPTASE INHIBITORS Andrea Boesciences, Inc. (US) 2012-11-01 — — US disclosed
US-20120277206-A1 REVERSE TRANSCRIPTASE INHIBITORS Andrea Boesciences, Inc. (US) 2012-11-01 — — US disclosed
EP-2220091-B1 REVERSE TRANSCRIPTASE INHIBITORS ARDEA BIOSCIENCES INC (US) 2012-07-25 — — EP disclosed
EP-2220091-B1 REVERSE TRANSCRIPTASE INHIBITORS ARDEA BIOSCIENCES INC (US) 2012-07-25 — — EP disclosed
US-8207178-B2 Fused pyrimidines as reverse transcriptase inhibitors ARDEA BIOSCIENCES, INC. (US) 2012-06-26 — — US disclosed
US-8207178-B2 Fused pyrimidines as reverse transcriptase inhibitors ARDEA BIOSCIENCES, INC. (US) 2012-06-26 — — US disclosed
US-8207178-B2 Fused pyrimidines as reverse transcriptase inhibitors ARDEA BIOSCIENCES, INC. (US) 2012-06-26 — — US disclosed
WO-2009079412-A2 REVERSE TRANSCRIPTASE INHIBITORS ARDEA BIOSCIENCES INC. (US) 2009-06-25 — — WO disclosed
US-20090162319-A1 REVERSE TRANSCRIPTASE INHIBITORS ARDEA BIOSCIENCES (US) 2009-06-25 — — US disclosed
US-20090162319-A1 REVERSE TRANSCRIPTASE INHIBITORS ARDEA BIOSCIENCES (US) 2009-06-25 — — US disclosed
US-20090162319-A1 REVERSE TRANSCRIPTASE INHIBITORS ARDEA BIOSCIENCES (US) 2009-06-25 — — 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-20120277206-A1 REVERSE TRANSCRIPTASE INHIBITORS POLRMT, POLR1E, TYMP CYP2C9 2156/4885CYP2C19 1979/4885MYC 2371/4885
US-20090162319-A1 REVERSE TRANSCRIPTASE INHIBITORS POLRMT, POLR1E, TYMP CYP2C9 2156/4885CYP2C19 1979/4885MYC 2371/4885

“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.

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