SCHEMBL19220564

SCHEMBL19220564

CC(C)c1nnc(Cc2ccc(F)c(F)c2F)s1

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GLA P06280 1/20 0.33
TSHR P16473 1/20 0.33
ALDH1A1 P00352 1/20 0.33
P2RX7 Q99572 2/20 0.32
MAOB P27338 1/20 0.32
RXFP1 Q9HBX9 1/20 0.31
MEN1 O00255 2/20 0.30
KMT2A Q03164 2/20 0.30
NPC1 O15118 1/20 0.30
RAB9A P51151 1/20 0.30
KDM4E B2RXH2 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
SCHEMBL19220548 0.88 ALDH1A1 (0.38) GLATSHRALDH1A1P2RX7MAOB
SCHEMBL19225380 0.87 ALDH1A1 (0.31) ALDH1A1
SCHEMBL19220536 0.85 MEP1B (0.36) GLATSHRALDH1A1MAOBRXFP1
SCHEMBL16018756 0.81 IDO1 (0.39) GLATSHRALDH1A1MAOBRXFP1
SCHEMBL18541999 0.81 GLA (0.38) GLATSHRALDH1A1MAOBRXFP1
SCHEMBL19225348 0.80 ALDH1A1 (0.36) TSHRALDH1A1P2RX7MEN1KMT2A
SCHEMBL19157476 0.80 GRIN2B (0.37) ALDH1A1P2RX7MEN1KMT2ANPC1
SCHEMBL16018765 0.78 MPO (0.36) GLATSHRALDH1A1P2RX7NPC1
SCHEMBL19220571 0.78 DPP4 (0.38) GLATSHRMAOB
SCHEMBL19220565 0.75 MPO (0.35) GLATSHRALDH1A1MAOBMEN1

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 GLA 2034/4885TSHR 4574/4885ALDH1A1 1332/4885
US-20170226128-A1 POLYCYCLIC PYRIDONE DERIVATIVE HAVING INTEGRASE INHIBITORY ACTIVITY TYMP, CDK6, IMPA1 GLA 2034/4885TSHR 4574/4885ALDH1A1 1332/4885
US-10202404-B2 Polycyclic pyridone derivative having integrase inhibitory activity TYMP, CDK6, IMPA1 GLA 2034/4885TSHR 4574/4885ALDH1A1 1332/4885

“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.