SCHEMBL18045006

SCHEMBL18045006

NC1CCCN(c2cnc(Oc3ccc(Oc4cccc(F)c4)cc3)c(C(=O)O)c2)C1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 1/20 0.41
HRH3 Q9Y5N1 1/20 0.40
BTK Q06187 7/20 0.40
KCNH2 Q12809 1/20 0.40
SCN3A Q9NY46 1/20 0.40
ABL1 P00519 1/20 0.39
PIM1 P11309 2/20 0.38
FAAH O00519 1/20 0.38
PIM3 Q86V86 1/20 0.38
PIM2 Q9P1W9 1/20 0.38
TSHR P16473 1/20 0.38
PTGER4 P35408 1/20 0.38
PTGER2 P43116 1/20 0.38
PARP14 Q460N5 1/20 0.37
PARP10 Q53GL7 1/20 0.37
KDM4C Q9H3R0 1/20 0.37
CAMK1D Q8IU85 1/20 0.37

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
SCHEMBL16671222 0.93 BTK (0.45) HRH3BTKKCNH2SCN3AABL1
SCHEMBL16671816 0.92 TSHR (0.44) HRH3BTKPIM1PIM3PIM2
SCHEMBL16670985 0.87 BTK (0.43) HRH3BTKKCNH2SCN3AABL1
SCHEMBL16671812 0.85 BTK (0.47) BTKKCNH2PIM1PIM3PIM2
SCHEMBL20969009 0.83 BTK (0.55) BTK
SCHEMBL16670904 0.82 BTK (0.49) PPARAHRH3BTKKCNH2SCN3A
SCHEMBL16671257 0.81 PARP10 (0.46) HRH3BTKKCNH2SCN3AABL1
SCHEMBL16676752 0.81 PARP10 (0.48) HRH3BTKKCNH2SCN3AABL1
SCHEMBL16671805 0.80 MEN1 (0.42) BTKTSHRPARP14PARP10
SCHEMBL16670710 0.79 BTK (0.45) BTKCAMK1D

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10329270-B2 Heteroaryl compounds as BTK inhibitors and uses thereof MERCK PATENT GMBH (DE) 2019-06-25 US disclosed
EP-3060550-B1 HETEROARYL COMPOUNDS AS BTK INHIBITORS AND USES THEREOF MERCK PATENT GMBH (DE) 2019-05-15 EP disclosed
US-20160264548-A1 HETEROARYL COMPOUNDS AS BTK INHIBITORS AND USES THEREOF MERCK PATENT GMBH (DE) 2016-09-15 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 (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-20160264548-A1 HETEROARYL COMPOUNDS AS BTK INHIBITORS AND USES THEREOF BTK, SYK, LCK PPARA 4086/4885HRH3 1043/4885BTK 1/4885
US-10329270-B2 Heteroaryl compounds as BTK inhibitors and uses thereof BTK, SYK, LCK PPARA 4086/4885HRH3 1043/4885BTK 1/4885

“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.