SCHEMBL16280538

SCHEMBL16280538

NNc1cc(O)ccc1F

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADRA2A P08913 1/20 0.38
▸ ADRA2B P18089 1/20 0.38
▸ ADRA2C P18825 1/20 0.38
▸ CA9 Q16790 3/20 0.37
▸ CA1 P00915 2/20 0.37
▸ CA2 P00918 1/20 0.37
▸ RET P07949 1/20 0.37
▸ KIF5B P33176 1/20 0.37
▸ KDR P35968 1/20 0.37
▸ ESR1 P03372 8/20 0.36
▸ ESR2 Q92731 6/20 0.36
▸ KDM4E B2RXH2 1/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ MAPT P10636 1/20 0.36
▸ RAB9A P51151 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ CYP3A4 P08684 1/20 0.35
▸ TSHR P16473 1/20 0.35
▸ RECQL P46063 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.35

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
SCHEMBL20040857 0.82 CA1 (0.50) CA9CA1CA2ESR1ESR2
SCHEMBL2709499 0.77 ADRA2A (0.46) ADRA2AADRA2BADRA2CCA9CA1
SCHEMBL29544738 0.76 ALDH1A1 (0.42) CA9CA1CA2KDM4EMEN1
SCHEMBL124354 0.76 ALDH1A1 (0.42) CA9CA1CA2KDM4EMEN1
SCHEMBL6012110 0.76 MAOB (0.43) CA9CA1CA2KDM4EMEN1
Bromide SCHEMBL20984147 0.74 MAPT (0.41) CA9CA1CA2KDM4EMEN1
Hydrochloric Acid SCHEMBL29502148 0.74 MAPT (0.41) CA9CA1CA2KDM4EMEN1
SCHEMBL1337289 0.74 IDO1 (0.41) CA9CA1CA2KDM4EMEN1
Hydrochloric Acid SCHEMBL1408624 0.74 MAPT (0.41) CA9CA1CA2KDM4EMEN1
Phosphine SCHEMBL28200789 0.74 MAPT (0.41) CA9CA1CA2KDM4EMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3004097-B1 KINASE INHIBITORS CHIESI FARM SPA (IT) 2018-01-17 — — EP disclosed
EP-3004097-B1 KINASE INHIBITORS CHIESI FARM SPA (IT) 2018-01-17 — — EP disclosed
US-9440974-B2 Kinase inhibitors CHIESI FARMACEUTICI S.P.A. (IT) 2016-09-13 — — US disclosed
US-9440974-B2 Kinase inhibitors CHIESI FARMACEUTICI S.P.A. (IT) 2016-09-13 — — US disclosed
US-9440974-B2 Kinase inhibitors CHIESI FARMACEUTICI S.P.A. (IT) 2016-09-13 — — US disclosed
EP-3004097-A1 KINASE INHIBITORS Chiesi Farmaceutici S.p.A. (IT) 2016-04-13 — — EP disclosed
CN-105377847-A Kinase inhibitors CHIESI FARM SPA 2016-03-02 — — CN disclosed
US-20160016953-A1 KINASE INHIBITORS CHIESI FARMACEUTICI S.P.A (IT) 2016-01-21 — — US disclosed
US-20160016953-A1 KINASE INHIBITORS CHIESI FARMACEUTICI S.P.A (IT) 2016-01-21 — — US disclosed
US-20160016953-A1 KINASE INHIBITORS CHIESI FARMACEUTICI S.P.A (IT) 2016-01-21 — — US disclosed
US-9181242-B2 Kinase inhibitors CHIESI FARMACEUTICI S.P.A. (IT) 2015-11-10 — — US disclosed
US-9181242-B2 Kinase inhibitors CHIESI FARMACEUTICI S.P.A. (IT) 2015-11-10 — — US disclosed
US-9181242-B2 Kinase inhibitors CHIESI FARMACEUTICI S.P.A. (IT) 2015-11-10 — — US disclosed
US-20140364412-A1 KINASE INHIBITORS CHIESI FARMACEUTICI S.P.A. (IT) 2014-12-11 — — US disclosed
US-20140364412-A1 KINASE INHIBITORS CHIESI FARMACEUTICI S.P.A. (IT) 2014-12-11 — — US disclosed
US-20140364412-A1 KINASE INHIBITORS CHIESI FARMACEUTICI S.P.A. (IT) 2014-12-11 — — US disclosed
WO-2014195402-A1 KINASE INHIBITORS CHIESI FARMACEUTICI S.P.A. (IT) 2014-12-11 — — WO disclosed
WO-2014195402-A1 KINASE INHIBITORS CHIESI FARMACEUTICI S.P.A. (IT) 2014-12-11 — — WO 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-20160016953-A1 KINASE INHIBITORS MAP3K1, MAP3K2, MAP3K6 ADRA2A 2396/4885ADRA2B 1620/4885ADRA2C 2337/4885
US-20140364412-A1 KINASE INHIBITORS MAP3K1, MAP3K2, MAP3K6 ADRA2A 2396/4885ADRA2B 1620/4885ADRA2C 2337/4885

“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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