SCHEMBL15723924

SCHEMBL15723924

CC(C)c1ncccc1-c1cnc2ccccc2c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 1/20 0.53
PDGFRB P09619 3/20 0.51
PDGFRA P16234 3/20 0.51
AKR1C3 P42330 1/20 0.47
AKR1C2 P52895 1/20 0.47
NPC1 O15118 1/20 0.46
POLB P06746 1/20 0.46
RAB9A P51151 1/20 0.46
ABL1 P00519 1/20 0.45
SRC P12931 1/20 0.45
CYP1A2 P05177 1/20 0.45
HSP90AA1 P07900 4/20 0.44
NISCH Q9Y2I1 1/20 0.44
PARP10 Q53GL7 1/20 0.44
PARP11 Q9NR21 1/20 0.44
BIRC5 O15392 1/20 0.44
PIK3CD O00329 1/20 0.43
PIK3CA P42336 1/20 0.43
ALDH1A1 P00352 1/20 0.43
SLC22A12 Q96S37 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
SCHEMBL15723963 0.84 RAB9A (0.62) AKR1C3AKR1C2NPC1POLBRAB9A
SCHEMBL15730717 0.81 CYP2A6 (0.55) CYP2A6PDGFRBPDGFRAAKR1C3AKR1C2
SCHEMBL15723965 0.81 GSTP1 (0.47) AKR1C3AKR1C2NPC1POLBRAB9A
SCHEMBL18853881 0.80 AKR1C3 (0.40) CYP2A6PDGFRBPDGFRAAKR1C3AKR1C2
SCHEMBL29377530 0.78 CYP2A6 (0.55) CYP2A6PDGFRBPDGFRANPC1POLB
SCHEMBL25180827 0.76 PDGFRB (0.51) CYP2A6PDGFRBPDGFRAAKR1C3AKR1C2
SCHEMBL15723915 0.76 PIK3CG (0.38) NPC1POLBRAB9AABL1SRC
SCHEMBL31164542 0.76 PDGFRB (0.51) CYP2A6PDGFRBPDGFRAAKR1C3AKR1C2
SCHEMBL25524104 0.76 PDGFRB (0.51) CYP2A6PDGFRBPDGFRAAKR1C3AKR1C2
SCHEMBL2624503 0.76 PDGFRB (0.54) CYP2A6PDGFRBPDGFRANPC1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10370358-B2 Compounds for the treatment of HIV GILEAD SCIENCES, INC. (US) 2019-08-06 US disclosed
US-20180194746-A1 Compounds For the Treatment of HIV GILEAD SCIENCES, INC. 2018-07-12 US disclosed
US-20180194746-A1 Compounds For the Treatment of HIV GILEAD SCIENCES, INC. 2018-07-12 US disclosed
US-9944619-B2 Compounds for the treatment of HIV GILEAD SCIENCES, INC. (US) 2018-04-17 US disclosed
US-20170137405-A1 COMPOUNDS FOR THE TREATMENT OF HIV GILEAD SCIENCES, INC. 2017-05-18 US disclosed
US-9540343-B2 Compounds for the treatment of HIV GILEAD SCIENCES, INC. (US) 2017-01-10 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 (4 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-10370358-B2 Compounds for the treatment of HIV CCR5, NPC1, FURIN CYP2A6 1207/4885PDGFRB 4757/4885PDGFRA 4700/4885
US-20180194746-A1 Compounds For the Treatment of HIV CCR5, NPC1, FURIN CYP2A6 1207/4885PDGFRB 4757/4885PDGFRA 4700/4885
US-20170137405-A1 COMPOUNDS FOR THE TREATMENT OF HIV CCR5, NPC1, FURIN CYP2A6 1207/4885PDGFRB 4757/4885PDGFRA 4700/4885
US-20140142085-A1 COMPOUNDS FOR THE TREATMENT OF HIV CCR5, NPC1, FURIN CYP2A6 1207/4885PDGFRB 4757/4885PDGFRA 4700/4885

“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.