SCHEMBL5520428

SCHEMBL5520428

COC(=O)c1cc(Cl)nc(C(C)(C)C)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.47
KDM4E B2RXH2 4/20 0.47
CA12 O43570 2/20 0.43
CA1 P00915 2/20 0.43
CA2 P00918 2/20 0.43
CA7 P43166 2/20 0.43
CA9 Q16790 2/20 0.43
CA14 Q9ULX7 2/20 0.43
L3MBTL1 Q9Y468 2/20 0.42
XDH P47989 2/20 0.42
TDP1 Q9NUW8 2/20 0.42
LMNA P02545 1/20 0.42
POLB P06746 1/20 0.42
GAA P10253 1/20 0.42
NFKB1 P19838 1/20 0.42
GFER P55789 1/20 0.42
NFKB2 Q00653 1/20 0.42
RELA Q04206 1/20 0.42
FUT7 Q11130 1/20 0.42
NOTUM Q6P988 1/20 0.41

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
SCHEMBL3855311 0.87 NOTUM (0.45) ALDH1A1KDM4ECA12CA1CA2
SCHEMBL30260185 0.85 CA12 (0.38) ALDH1A1CA12CA1CA2CA9
SCHEMBL23684086 0.85 CA12 (0.38) ALDH1A1CA12CA1CA2CA9
SCHEMBL29603089 0.85 NOTUM (0.50) ALDH1A1KDM4ECA12CA1CA2
SCHEMBL20186698 0.85 NOTUM (0.50) ALDH1A1KDM4ECA12CA1CA2
SCHEMBL569249 0.84 ALDH1A1 (0.59) ALDH1A1KDM4ECA12CA1CA2
Hydrochloric Acid SCHEMBL29890892 0.82 ALDH1A1 (0.57) ALDH1A1KDM4ECA12CA1CA2
SCHEMBL17943341 0.81 KDM4E (0.49) ALDH1A1KDM4ECA12CA1CA2
SCHEMBL5527447 0.81 TPMT (0.42) ALDH1A1KDM4ELMNASMN1; SMN2TSHR
SCHEMBL25136446 0.80 KDM4E (0.41) ALDH1A1KDM4EL3MBTL1NOTUMMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3548495-B1 PYRAZOLOPYRIMIDINE DERIVATIVES AS CAM KINASE INHIBITORS GILEAD SCIENCES INC (US) 2021-01-27 EP disclosed
EP-3548495-A1 PYRAZOLOPYRIMIDINE DERIVATIVES AS CAM KINASE INHIBITORS Gilead Sciences, Inc. (US) 2019-10-09 EP disclosed
US-10100058-B2 Fused heterocyclic compounds as CaM kinase inhibitors GILEAD SCIENCES, INC. (US) 2018-10-16 US disclosed
WO-2018102384-A1 PYRAZOLOPYRIMIDINE DERIVATIVES AS CAM KINASE INHIBITORS GILEAD SCIENCES, INC. (US) 2018-06-07 WO disclosed
US-20180148457-A1 FUSED HETEROCYCLIC COMPOUNDS AS CAM KINASE INHIBITORS GILEAD SCIENCES, INC. 2018-05-31 US disclosed
EP-2807162-B1 SUBSTITUTED PHENYLIMIDAZOPYRAZOLES AND USE THEREOF Bayer Pharma AG (DE) 2017-06-07 EP disclosed
US-9394309-B2 Substituted phenylimidazopyrazoles and their use BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2016-07-19 US disclosed
US-20150005288-A1 SUBSTITUTED PHENYLIMIDAZOPYRAZOLES AND USE THEREOF BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2015-01-01 US disclosed
EP-2807162-A1 SUBSTITUTED PHENYLIMIDAZOPYRAZOLES AND USE THEREOF Bayer Pharma Aktiengesellschaft (DE) 2014-12-03 EP disclosed
WO-2013110590-A1 SUBSTITUTED PHENYLIMIDAZOPYRAZOLES AND USE THEREOF BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2013-08-01 WO disclosed
US-20130190290-A1 Substituted phenylimidazopyrazoles and their use BAYER INTELLECTUAL PROPERTY GMBH (DE) 2013-07-25 US disclosed
US-20120108565-A1 PYRROLE CARBOXYLIC ACID DERIVATIVES AS ANTIBACTERIAL AGENTS RANBAXY LABORATORIES LIMITED (IN) 2012-05-03 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 (5 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-20150005288-A1 SUBSTITUTED PHENYLIMIDAZOPYRAZOLES AND USE THEREOF VHL, FLT4, FLT1 ALDH1A1 920/4885KDM4E 3535/4885CA12 4011/4885
US-10100058-B2 Fused heterocyclic compounds as CaM kinase inhibitors CAMK1, CAMKK1, CAMK1D ALDH1A1 1512/4885KDM4E 2635/4885CA12 2073/4885
US-20180148457-A1 FUSED HETEROCYCLIC COMPOUNDS AS CAM KINASE INHIBITORS CAMK1, CAMKK1, CAMK1D ALDH1A1 1512/4885KDM4E 2635/4885CA12 2073/4885
US-20120108565-A1 PYRROLE CARBOXYLIC ACID DERIVATIVES AS ANTIBACTERIAL AGENTS POLI, POLB, POLA1 ALDH1A1 2042/4885KDM4E 676/4885CA12 849/4885
US-20130190290-A1 Substituted phenylimidazopyrazoles and their use VHL, FLT4, FLT1 ALDH1A1 962/4885KDM4E 3634/4885CA12 4075/4885

“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.