SCHEMBL21101322

SCHEMBL21101322

COC(=O)c1cc(N2CC3CN(C(O)OC(C)(C)C)CC3C2)cnc1Oc1ccc(Oc2cccc(F)c2)cc1

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PTGER4 P35408 2/20 0.36
PTGER2 P43116 1/20 0.36
ABL1 P00519 1/20 0.35
HCRTR1 O43613 4/20 0.34
HCRTR2 O43614 4/20 0.34
BTK Q06187 2/20 0.34
TDP1 Q9NUW8 1/20 0.34
FGFR1 P11362 1/20 0.33
GHSR Q92847 1/20 0.33
CHRM1 P11229 1/20 0.33
HRH3 Q9Y5N1 1/20 0.32
KMT2A Q03164 1/20 0.32
ATM Q13315 1/20 0.32
MGLL Q99685 1/20 0.32
MRGPRX4 Q96LA9 1/20 0.32

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
SCHEMBL16670702 0.86 ABL1 (0.38) ABL1HCRTR1HCRTR2BTKGHSR
SCHEMBL20998606 0.84 TDP1 (0.39) PTGER4PTGER2ABL1HCRTR1HCRTR2
SCHEMBL20998605 0.80 TDP1 (0.41) PTGER4PTGER2ABL1BTKTDP1
SCHEMBL16670687 0.78 BTK (0.44) BTK
SCHEMBL16671416 0.78 CKS1B (0.42) ABL1BTK
SCHEMBL16670224 0.77 BTK (0.43) HCRTR1HCRTR2BTKTDP1
SCHEMBL16670236 0.77 BTK (0.42) ABL1BTKGHSRCHRM1KMT2A
SCHEMBL16671584 0.77 BTK (0.44) BTK
SCHEMBL20998624 0.76 TDP1 (0.46) HCRTR1HCRTR2TDP1
SCHEMBL28106063 0.75 CHRNB2 (0.47) TDP1

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 1 patent. 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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-10329270-B2 Heteroaryl compounds as BTK inhibitors and uses thereof BTK, SYK, LCK PTGER4 2926/4885PTGER2 2732/4885ABL1 6/4885

“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.