SCHEMBL19965717

SCHEMBL19965717

CCc1ccc(N2CCN(C3COC3)CC2)cn1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 1/20 0.43
MTOR P42345 1/20 0.43
HRH3 Q9Y5N1 2/20 0.40
ACVR1 Q04771 1/20 0.38
ENPP2 Q13822 1/20 0.38
RORC P51449 1/20 0.38
KMT2A Q03164 1/20 0.38
ESRRG P62508 1/20 0.37
CD63 P08962 3/20 0.37
SYK P43405 3/20 0.37
MAP3K12 Q12852 1/20 0.36
HSD11B1 P28845 1/20 0.36
JAK2 O60674 2/20 0.36
NAMPT P43490 1/20 0.36
PARP1 P09874 1/20 0.36
CDK4 P11802 1/20 0.35
CCNA2 P20248 1/20 0.35
CDK2 P24941 1/20 0.35
CCND3 P30281 1/20 0.35
CDK6 Q00534 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
SCHEMBL20306362 0.85 RORC (0.43) PIK3CAMTORHRH3ACVR1ENPP2
SCHEMBL14930374 0.81 SYK (0.40) PIK3CAMTORACVR1ENPP2RORC
SCHEMBL19441974 0.81 BTK (0.38)
SCHEMBL24211810 0.80 ENPP2 (0.45) PIK3CAMTORACVR1ENPP2RORC
SCHEMBL21769123 0.80 BTK (0.38) PIK3CAMTORMAP3K12NAMPTPARP1
SCHEMBL23109860 0.80 PIK3CD (0.38) PIK3CAMTORACVR1MAP3K12NAMPT
SCHEMBL807518 0.79 POLB (0.51) KMT2A
SCHEMBL19965723 0.78 PRMT5 (0.38) PIK3CAMTORMAP3K12PARP1
SCHEMBL23107395 0.78 CHRNB2 (0.40) ACVR1RORC
SCHEMBL23107399 0.78 CHRNB2 (0.40) ACVR1RORC

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190194203-A1 HETEROARYL PYRIDONE AND AZA-PYRODINE COMPOUNDS GENENTECH, INC. (US) 2019-06-27 US disclosed
US-20180071286-A1 HETEROARYL PYRIDONE AND AZA-PYRODINE COMPOUNDS GENENTECH, INC. (US) 2018-03-15 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-20190194203-A1 HETEROARYL PYRIDONE AND AZA-PYRODINE COMPOUNDS TYK2, BTK, PDXK PIK3CA 57/4885MTOR 302/4885HRH3 644/4885
US-20180071286-A1 HETEROARYL PYRIDONE AND AZA-PYRODINE COMPOUNDS TYK2, BTK, PDXK PIK3CA 57/4885MTOR 302/4885HRH3 644/4885

“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.