SCHEMBL18686402

SCHEMBL18686402

[c]1nc(C2NCc3ccccc32)cc2ccccc12

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD1 P21728 6/20 0.35
DRD2 P14416 4/20 0.35
DRD4 P21917 4/20 0.35
ADRA2A P08913 1/20 0.35
ADRA2B P18089 1/20 0.35
ADRA2C P18825 1/20 0.35
DRD5 P21918 1/20 0.35
DRD3 P35462 1/20 0.35
MAPK1 P28482 3/20 0.33
ALDH1A1 P00352 3/20 0.33
MAPT P10636 3/20 0.33
TP53 P04637 2/20 0.33
CYP1A2 P05177 2/20 0.33
CYP2D6 P10635 2/20 0.33
HSD17B10 Q99714 2/20 0.33
KDM4E B2RXH2 2/20 0.33
HPGD P15428 2/20 0.33
CYP2C19 P33261 1/20 0.33
ADRB2 P07550 1/20 0.33
ADRB1 P08588 1/20 0.33

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
SCHEMBL7433439 0.86 PRCP (0.49) MAPTTSHR
SCHEMBL17760557 0.72 ADRA2A (0.45) ADRA2AMAPK1ALDH1A1CYP2D6ALOX15
SCHEMBL5266413 0.72 PTPRA (0.39) DRD1DRD2DRD4ADRA2AADRA2B
SCHEMBL1471223 0.71 DRD1 (0.37) DRD1DRD2DRD4ADRA2AADRA2B
SCHEMBL6659680 0.68 TRPM5 (0.41) DRD1DRD2DRD4ADRA2AADRA2B
SCHEMBL3172947 0.68 ESR1 (0.34)
SCHEMBL11120312 0.67 CREBBP (0.34) HSD17B10KDM4EHPGDTSHR
SCHEMBL27741885 0.66 DRD1 (0.38) DRD1DRD2DRD4ADRA2AADRA2B
SCHEMBL23356541 0.66 RECQL (0.35) DRD1DRD2DRD4ADRA2AADRA2B
SCHEMBL14494409 0.66 RAB9A (0.42) ALDH1A1MAPTTP53CYP1A2CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190054071-A1 SMALL MOLECULE INHIBITORS OF PENDRIN ION EXCHANGE AND PHARMACEUTICAL COMPOSITIONS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2019-02-21 US disclosed
EP-3150600-B1 DIHYDROPYRIMIDO LOOP DERIVATIVE AS HBV INHIBITOR QILU PHARMACEUTICAL CO LTD (CN) 2018-06-27 EP disclosed
US-9938301-B2 Dihydropyrimido fused ring derivative as HBV inhibitor QILU PHARMACEUTICAL CO., LTD. (CN) 2018-04-10 US disclosed
US-20170197986-A1 DIHYDROPYRIMIDO LOOP DERIVATIVE AS HBV INHIBITOR MEDSHINE DISCOVERY INC. (CN) 2017-07-13 US disclosed
EP-3150600-A1 DIHYDROPYRIMIDO LOOP DERIVATIVE AS HBV INHIBITOR Medshine Discovery Inc. (CN) 2017-04-05 EP 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-20190054071-A1 SMALL MOLECULE INHIBITORS OF PENDRIN ION EXCHANGE AND PHARMACEUTICAL COMPOSITIONS SLC26A4, CFTR, SLC7A5 DRD1 2509/4885DRD2 2286/4885DRD4 3069/4885
US-20170197986-A1 DIHYDROPYRIMIDO LOOP DERIVATIVE AS HBV INHIBITOR TMBIM6, HAVCR2, HDGF DRD1 4681/4885DRD2 4810/4885DRD4 4551/4885

“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.