SCHEMBL19220536

SCHEMBL19220536

COc1c(F)ccc(Cc2nnc(C(C)C)s2)c1F

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEP1B Q16820 1/20 0.36
MEN1 O00255 3/20 0.33
KMT2A Q03164 3/20 0.33
POLB P06746 1/20 0.33
ABCB1 P08183 1/20 0.32
ABCG2 Q9UNQ0 1/20 0.32
MAOB P27338 1/20 0.32
ALDH1A1 P00352 5/20 0.32
HSD17B10 Q99714 1/20 0.32
LMNA P02545 3/20 0.31
GLA P06280 2/20 0.31
TSHR P16473 2/20 0.31
NPC1 O15118 2/20 0.31
RAB9A P51151 2/20 0.31
MAPT P10636 1/20 0.31
HPGD P15428 1/20 0.31
RXFP1 Q9HBX9 1/20 0.31
ROCK2 O75116 1/20 0.30
ROCK1 Q13464 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30

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
SCHEMBL19220564 0.85 GLA (0.33) MEN1KMT2AMAOBALDH1A1GLA
SCHEMBL19220548 0.82 ALDH1A1 (0.38) KMT2AMAOBALDH1A1GLATSHR
SCHEMBL19157477 0.82 MEP1B (0.39) MEP1BMEN1KMT2AALDH1A1LMNA
SCHEMBL20340996 0.82 MEP1B (0.39) MEP1BMEN1KMT2AALDH1A1HSD17B10
SCHEMBL18541999 0.75 GLA (0.38) MEN1KMT2AABCB1ABCG2MAOB
SCHEMBL16018756 0.75 IDO1 (0.39) MEN1KMT2AMAOBALDH1A1GLA
SCHEMBL16018765 0.73 MPO (0.36) POLBALDH1A1GLATSHRNPC1
SCHEMBL19225380 0.73 ALDH1A1 (0.31) ALDH1A1
SCHEMBL19220571 0.73 DPP4 (0.38) ABCB1ABCG2MAOBGLATSHR
SCHEMBL19220565 0.70 MPO (0.35) MEN1KMT2APOLBMAOBALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10202404-B2 Polycyclic pyridone derivative having integrase inhibitory activity SHIONOGI & CO., LTD. (JP) 2019-02-12 US disclosed
US-10011613-B2 Polycyclic pyridone derivative having integrase inhibitory activity SHIONOGI & CO., LTD. (JP) 2018-07-03 US disclosed
US-10011613-B2 Polycyclic pyridone derivative having integrase inhibitory activity SHIONOGI & CO., LTD. (JP) 2018-07-03 US disclosed
US-20170226128-A1 POLYCYCLIC PYRIDONE DERIVATIVE HAVING INTEGRASE INHIBITORY ACTIVITY SHIONOGI & CO., LTD. (JP) 2017-08-10 US disclosed
US-20170226128-A1 POLYCYCLIC PYRIDONE DERIVATIVE HAVING INTEGRASE INHIBITORY ACTIVITY SHIONOGI & CO., LTD. (JP) 2017-08-10 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 (3 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-10011613-B2 Polycyclic pyridone derivative having integrase inhibitory activity TYMP, CDK6, IMPA1 MEP1B 2944/4885MEN1 4120/4885KMT2A 1202/4885
US-20170226128-A1 POLYCYCLIC PYRIDONE DERIVATIVE HAVING INTEGRASE INHIBITORY ACTIVITY TYMP, CDK6, IMPA1 MEP1B 2944/4885MEN1 4120/4885KMT2A 1202/4885
US-10202404-B2 Polycyclic pyridone derivative having integrase inhibitory activity TYMP, CDK6, IMPA1 MEP1B 2944/4885MEN1 4120/4885KMT2A 1202/4885

“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.