SCHEMBL16018767

SCHEMBL16018767

CC(C)c1ncc(Cc2cccc(Cl)c2F)s1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.45
KMT2A Q03164 5/20 0.43
MEN1 O00255 4/20 0.43
CFTR P13569 1/20 0.38
MAPT P10636 3/20 0.36
ALDH1A1 P00352 3/20 0.36
KDM4E B2RXH2 1/20 0.36
MPO P05164 1/20 0.35
NPSR1 Q6W5P4 2/20 0.35
TDP1 Q9NUW8 2/20 0.35
ABL1 P00519 1/20 0.35
OPRK1 P41145 1/20 0.35
CCR6 P51684 1/20 0.35
MCOLN3 Q8TDD5 1/20 0.35
PKM P14618 2/20 0.35
CTSA P10619 2/20 0.35
HTT P42858 1/20 0.35
SMN1; SMN2 Q16637 4/20 0.34
NPC1 O15118 2/20 0.34
RAB9A P51151 2/20 0.34

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
SCHEMBL16016398 0.82 KMT2A (0.45) POLBKMT2AMEN1CFTRMAPT
SCHEMBL19225349 0.80 KMT2A (0.43) POLBKMT2AMEN1CFTRMAPT
SCHEMBL16018765 0.77 MPO (0.36) POLBMAPTALDH1A1MPOSMN1; SMN2
SCHEMBL16018770 0.76 SLC5A2 (0.46) POLBKMT2AMEN1ALDH1A1MPO
SCHEMBL16018764 0.75 MPO (0.36) POLBKMT2AMEN1MPOCXCR2
SCHEMBL19220559 0.75 MPO (0.37) POLBMAPTMPOCTSASMN1; SMN2
SCHEMBL16018768 0.73 SLC6A3 (0.40) POLBALDH1A1MPOTDP1SMN1; SMN2
SCHEMBL16018769 0.73 MPO (0.38) MPOCXCR2HTR1BCX3CR1
SCHEMBL16018772 0.73 MPO (0.35) POLBKMT2AMEN1MPOCXCR2
SCHEMBL16018762 0.72 GPER1 (0.41) KDM4EMPOABL1CTSASMN1; SMN2

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 7 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
US-9200009-B2 Polycyclic pyridone derivative having integrase inhibitory activity SHIONOGI & CO., LTD. (JP) 2015-12-01 US disclosed
US-20140256937-A1 POLYCYCLIC PYRIDONE DERIVATIVE HAVING INTEGRASE INHIBITORY ACTIVITY SHIONOGI & CO., LTD. (JP) 2014-09-11 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 (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-10011613-B2 Polycyclic pyridone derivative having integrase inhibitory activity TYMP, CDK6, IMPA1 POLB 46/4885KMT2A 1202/4885MEN1 4120/4885
US-20170226128-A1 POLYCYCLIC PYRIDONE DERIVATIVE HAVING INTEGRASE INHIBITORY ACTIVITY TYMP, CDK6, IMPA1 POLB 46/4885KMT2A 1202/4885MEN1 4120/4885
US-20140256937-A1 POLYCYCLIC PYRIDONE DERIVATIVE HAVING INTEGRASE INHIBITORY ACTIVITY TYMP, CDK6, IMPA1 POLB 46/4885KMT2A 1202/4885MEN1 4120/4885
US-10202404-B2 Polycyclic pyridone derivative having integrase inhibitory activity TYMP, CDK6, IMPA1 POLB 46/4885KMT2A 1202/4885MEN1 4120/4885

“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.