SCHEMBL15344952

SCHEMBL15344952

Cc1ccnc(-c2ccc3c(c2)OCC(=O)N3)c1

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 2/20 0.55
CYP11B2 P19099 2/20 0.55
NSD2 O96028 8/20 0.53
MMP12 P39900 1/20 0.52
KDM4E B2RXH2 3/20 0.51
RAB9A P51151 3/20 0.51
NPC1 O15118 2/20 0.51
PDE3B Q13370 1/20 0.51
PDE3A Q14432 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
KDM5B Q9UGL1 1/20 0.47
MAPT P10636 1/20 0.47
SYK P43405 1/20 0.47
DYRK1A Q13627 1/20 0.47
ALDH1A1 P00352 1/20 0.47
DRD2 P14416 1/20 0.46
DRD4 P21917 1/20 0.46
DRD3 P35462 1/20 0.46

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
SCHEMBL15345161 0.90 MMP12 (0.63) MMP12KDM4ERAB9ANPC1PDE3B
SCHEMBL15341888 0.84 CYP11B1 (0.52) CYP11B1CYP11B2NSD2KDM4ERAB9A
SCHEMBL15345045 0.82 MMP12 (0.46) CYP11B1CYP11B2NSD2MMP12KDM4E
SCHEMBL19188092 0.79 MMP12 (0.62) CYP11B1CYP11B2NSD2MMP12KDM4E
SCHEMBL280003 0.79 MMP12 (0.75) CYP11B1CYP11B2MMP12KDM4ERAB9A
SCHEMBL15344913 0.77 PDE3B (0.58) CYP11B1CYP11B2MMP12RAB9ANPC1
SCHEMBL15345177 0.74 MMP12 (0.46) NSD2MMP12KDM4ERAB9ANPC1
SCHEMBL24427535 0.74 CYP11B1 (0.55) CYP11B1CYP11B2NSD2MMP12PDE3B
SCHEMBL15344951 0.74 CYP11B2 (0.59) CYP11B1CYP11B2PDE3BPDE3A
SCHEMBL24427533 0.74 CYP11B1 (0.55) CYP11B1CYP11B2NSD2MMP12PDE3B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3070081-B1 BENZOTHIAZOL-6-YL ACETIC ACID DERIVATIVES AND THEIR USE FOR TREATING AN HIV INFECTION GILEAD SCIENCES INC (US) 2018-02-28 EP disclosed
US-20160015690-A1 THERAPEUTIC COMPOUNDS GILEAD SCIENCES, INC. 2016-01-21 US disclosed
US-8987250-B2 Therapeutic compounds GILEAD SCIENCES, INC. (US) 2015-03-24 US disclosed
US-20130281433-A1 THERAPEUTIC COMPOUNDS GILEAD SCIENCES, INC. 2013-10-24 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-20160015690-A1 THERAPEUTIC COMPOUNDS NQO1, HAVCR2, CCR5 CYP11B1 20/4885CYP11B2 19/4885NSD2 3209/4885
US-20130281433-A1 THERAPEUTIC COMPOUNDS NQO1, HAVCR2, CCR5 CYP11B1 20/4885CYP11B2 19/4885NSD2 3209/4885

“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.