SCHEMBL19194841

SCHEMBL19194841

Nc1cc(NC(=O)OCc2ccccc2)ncc1F

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP4K1 Q92918 1/20 0.49
POLB P06746 1/20 0.48
TSHR P16473 1/20 0.47
FSHR P23945 1/20 0.47
MGLL Q99685 2/20 0.46
MAPK1 P28482 1/20 0.46
TP53 P04637 1/20 0.45
MAPT P10636 1/20 0.45
NPC1 O15118 2/20 0.45
RAB9A P51151 2/20 0.45
HDAC3 O15379 3/20 0.45
HDAC1 Q13547 2/20 0.45
HDAC2 Q92769 2/20 0.45
ROCK2 O75116 1/20 0.44
CA12 O43570 1/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
CA9 Q16790 1/20 0.43
BLK P51451 1/20 0.43
BTK Q06187 1/20 0.43

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
SCHEMBL18916809 0.85 POLB (0.48) MAP4K1POLBTSHRFSHRMGLL
SCHEMBL18916793 0.80 JMJD6 (0.47) MAP4K1POLBTSHRFSHRNPC1
SCHEMBL19194842 0.78 NPC1 (0.47) MAP4K1POLBTSHRFSHRMGLL
SCHEMBL8129165 0.78 POLB (0.51) MAP4K1POLBTSHRFSHRMGLL
SCHEMBL13529198 0.78 MGLL (0.59) POLBTSHRMGLLTP53MAPT
SCHEMBL18916813 0.78 TSHR (0.44) MAP4K1POLBTSHRFSHRMGLL
SCHEMBL19200589 0.77 AAK1 (0.43) MAP4K1MAPK1
SCHEMBL24707414 0.76 NPC1 (0.52) POLBMGLLNPC1RAB9AROCK2
SCHEMBL30001291 0.76 NPC1 (0.52) POLBMGLLNPC1RAB9AROCK2
SCHEMBL5143604 0.76 DEGS1 (0.65) POLBTSHRFSHRMGLLTP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190071441-A1 PYRAZOLE DERIVATIVE MANUFACTURING METHOD MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2019-03-07 US disclosed
US-10174025-B2 Pyrazole derivative manufacturing method MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2019-01-08 US disclosed
US-20180099964-A1 PYRAZOLE DERIVATIVE MANUFACTURING METHOD MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2018-04-12 US disclosed
US-20180099964-A1 PYRAZOLE DERIVATIVE MANUFACTURING METHOD MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2018-04-12 US disclosed
US-9879009-B2 Pyrazole derivative manufacturing method MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2018-01-30 US disclosed
US-9879009-B2 Pyrazole derivative manufacturing method MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2018-01-30 US disclosed
US-20170217958-A1 PYRAZOLE DERIVATIVE MANUFACTURING METHOD MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2017-08-03 US disclosed
US-20170217958-A1 PYRAZOLE DERIVATIVE MANUFACTURING METHOD MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2017-08-03 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-20170217958-A1 PYRAZOLE DERIVATIVE MANUFACTURING METHOD CYP3A7, CYP2C19, CYP3A5 MAP4K1 1366/4885POLB 2315/4885TSHR 1311/4885
US-10174025-B2 Pyrazole derivative manufacturing method CYP3A5, CYP3A7, CYP3A4 MAP4K1 971/4885POLB 2619/4885TSHR 1457/4885
US-20180099964-A1 PYRAZOLE DERIVATIVE MANUFACTURING METHOD CYP3A5, CYP3A7, CYP3A4 MAP4K1 971/4885POLB 2619/4885TSHR 1457/4885
US-20190071441-A1 PYRAZOLE DERIVATIVE MANUFACTURING METHOD CYP3A5, CYP3A7, CYP3A4 MAP4K1 971/4885POLB 2619/4885TSHR 1457/4885

“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.