SCHEMBL15730741

SCHEMBL15730741

Cc1ncccc1-c1cccc2ncccc12

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ACVR1 Q04771 4/20 0.50
CA12 O43570 3/20 0.50
CA1 P00915 3/20 0.50
CA2 P00918 3/20 0.50
CA9 Q16790 3/20 0.50
KDM4E B2RXH2 1/20 0.50
MAPT P10636 1/20 0.50
GRM4 Q14833 1/20 0.45
BPTF Q12830 1/20 0.45
P2RX7 Q99572 1/20 0.44
SLC22A12 Q96S37 1/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
ERN1 O75460 1/20 0.43
CNR2 P34972 1/20 0.43
POLB P06746 1/20 0.43
ELANE P08246 1/20 0.43
TDO2 P48775 1/20 0.43

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
SCHEMBL198641 0.88 MAPT (0.64) ACVR1CA12CA1CA2CA9
SCHEMBL7918743 0.82 MAPT (0.56) CA12CA1CA2CA9KDM4E
SCHEMBL31469002 0.81 MKNK1 (0.52) KDM4EMAPTP2RX7MEN1KMT2A
SCHEMBL3421959 0.81 MKNK1 (0.52) KDM4EMAPTP2RX7MEN1KMT2A
SCHEMBL21033795 0.81 CYP2A6 (0.57) KDM4EMAPTTDO2
SCHEMBL4067917 0.79 KDM4E (0.57) ACVR1CA12CA1CA2CA9
SCHEMBL15849388 0.79 GRM2 (0.50) ACVR1CA12CA1CA2CA9
SCHEMBL22015704 0.78 CYP3A4 (0.62) ACVR1CA12CA1CA2CA9
SCHEMBL12386951 0.78 CA12 (0.59) ACVR1CA12CA1CA2CA9
SCHEMBL20371605 0.78 KDM4E (0.47) ACVR1CA12CA1CA2CA9

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-20170137405-A1 COMPOUNDS FOR THE TREATMENT OF HIV GILEAD SCIENCES, INC. 2017-05-18 US disclosed
US-20140142085-A1 COMPOUNDS FOR THE TREATMENT OF HIV GILEAD SCIENCES, INC. (US) 2014-05-22 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-20170137405-A1 COMPOUNDS FOR THE TREATMENT OF HIV CCR5, NPC1, FURIN ACVR1 3499/4885CA12 3399/4885CA1 4199/4885
US-20140142085-A1 COMPOUNDS FOR THE TREATMENT OF HIV CCR5, NPC1, FURIN ACVR1 3499/4885CA12 3399/4885CA1 4199/4885

“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.