SCHEMBL15723967

SCHEMBL15723967

CC(C)c1ncccc1-c1ccc2nccn2c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 7/20 0.57
DYRK1A Q13627 2/20 0.50
AXL P30530 4/20 0.43
FLT3 P36888 4/20 0.43
MERTK Q12866 4/20 0.43
CREBBP Q92793 1/20 0.43
KDM5B Q9UGL1 1/20 0.43
PDE4A P27815 1/20 0.43
PDE3A Q14432 1/20 0.43
CYP3A4 P08684 1/20 0.42
HPGD P15428 1/20 0.42
NFKB1 P19838 1/20 0.42
BLM P54132 1/20 0.42
PMP22 Q01453 1/20 0.42
HSD17B10 Q99714 1/20 0.42
TGFBR2 P37173 1/20 0.41
KEAP1 Q14145 1/20 0.40
TYRO3 Q06418 1/20 0.39
CYP1A2 P05177 1/20 0.39
METAP2 P50579 1/20 0.39

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
SCHEMBL15730182 0.82 TGFBR1 (0.64) TGFBR1DYRK1AAXLFLT3MERTK
SCHEMBL15639573 0.79 TGFBR1 (0.56) TGFBR1DYRK1AAXLFLT3MERTK
SCHEMBL17930295 0.77 TGFBR1 (0.64) TGFBR1DYRK1AAXLFLT3MERTK
SCHEMBL15639144 0.75 TGFBR1 (0.60) TGFBR1DYRK1ATGFBR2CYP1A2METAP2
SCHEMBL15639451 0.75 TGFBR1 (0.59) TGFBR1DYRK1ACREBBPHPGDTGFBR2
SCHEMBL15638648 0.74 TGFBR1 (0.65) TGFBR1DYRK1AAXLFLT3MERTK
SCHEMBL31040013 0.74 DYRK1A (0.58) TGFBR1DYRK1AAXLFLT3MERTK
SCHEMBL17934721 0.73 TGFBR1 (0.56) TGFBR1DYRK1AAXLFLT3MERTK
SCHEMBL15638836 0.73 TGFBR1 (0.58) TGFBR1DYRK1APDE4APDE3ATGFBR2
SCHEMBL30117545 0.73 TGFBR1 (0.58) TGFBR1DYRK1APDE4APDE3ATGFBR2

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 TGFBR1 3853/4885DYRK1A 4862/4885AXL 4509/4885
US-20180194746-A1 Compounds For the Treatment of HIV CCR5, NPC1, FURIN TGFBR1 3853/4885DYRK1A 4862/4885AXL 4509/4885
US-20170137405-A1 COMPOUNDS FOR THE TREATMENT OF HIV CCR5, NPC1, FURIN TGFBR1 3853/4885DYRK1A 4862/4885AXL 4509/4885
US-20140142085-A1 COMPOUNDS FOR THE TREATMENT OF HIV CCR5, NPC1, FURIN TGFBR1 3853/4885DYRK1A 4862/4885AXL 4509/4885

“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.