SCHEMBL19708399

SCHEMBL19708399

CC(C)c1c[nH]c2cc(Cl)c(Br)cc12

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CSNK2A1 P68400 3/20 0.49
HAVCR2 Q8TDQ0 1/20 0.40
MTNR1A P48039 1/20 0.39
MTNR1B P49286 1/20 0.39
THRA P10827 4/20 0.37
THRB P10828 4/20 0.37
PRKAB2 O43741 1/20 0.37
PRKAG1 P54619 1/20 0.37
PRKAA2 P54646 1/20 0.37
PRKAA1 Q13131 1/20 0.37
PRKAG3 Q9UGI9 1/20 0.37
PRKAG2 Q9UGJ0 1/20 0.37
PRKAB1 Q9Y478 1/20 0.37
GPR84 Q9NQS5 2/20 0.37
AXL P30530 1/20 0.35
GUSB P08236 2/20 0.35
CYP1A2 P05177 1/20 0.33
GSK3B P49841 1/20 0.33
HTR2A P28223 1/20 0.33
FFAR1 O14842 1/20 0.32

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
SCHEMBL25493368 0.85 MTNR1A (0.42) CSNK2A1HAVCR2MTNR1AMTNR1BTHRA
SCHEMBL22438748 0.77 GRIN2D (0.44) MTNR1AMTNR1BAXLHTR2A
SCHEMBL19708398 0.77 CSNK2A1 (0.53) CSNK2A1HAVCR2PRKAB2PRKAG1PRKAA2
SCHEMBL19838922 0.76 GPR84 (0.51) MTNR1AMTNR1BTHRATHRBPRKAB2
SCHEMBL31748373 0.73 CSNK2A1 (0.53) CSNK2A1HAVCR2PRKAB2PRKAG1PRKAA2
SCHEMBL153945 0.73 CSNK2A1 (0.53) CSNK2A1HAVCR2PRKAB2PRKAG1PRKAA2
SCHEMBL22438784 0.72 THRA (0.42) MTNR1AMTNR1BTHRATHRBPRKAB2
SCHEMBL3156224 0.71 SRC (0.54) CSNK2A1MTNR1AMTNR1BGPR84GUSB
SCHEMBL12244358 0.71 HTR2A (0.55) GPR84GUSBHTR2AIDO1
SCHEMBL22156313 0.71 GUSB (0.52) GPR84GUSBGSK3BFFAR1IDO1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111448190-B Substituted indole compounds 百时美施贵宝公司 2023-09-26 CN disclosed
US-11739098-B2 Substituted indole compounds BRISTOL-MYERS SQUIBB COMPANY (US) 2023-08-29 US disclosed
US-11739098-B2 Substituted indole compounds BRISTOL-MYERS SQUIBB COMPANY (US) 2023-08-29 US disclosed
US-11739098-B2 Substituted indole compounds BRISTOL-MYERS SQUIBB COMPANY (US) 2023-08-29 US disclosed
EP-3710440-B1 SUBSTITUTED INDOLE COMPOUNDS BRISTOL MYERS SQUIBB CO (US) 2023-04-05 EP disclosed
US-20230098244-A1 SUBSTITUTED INDOLE COMPOUNDS BRISTOL MYERS SQUIBB CO (US) 2023-03-30 US disclosed
US-20210253593-A1 SUBSTITUTED INDOLE COMPOUNDS BRISTOL MYERS SQUIBB CO (US) 2021-08-19 US disclosed
US-20210253593-A1 SUBSTITUTED INDOLE COMPOUNDS BRISTOL MYERS SQUIBB CO (US) 2021-08-19 US disclosed
EP-3710440-A1 SUBSTITUTED INDOLE COMPOUNDS Bristol-Myers Squibb Company (US) 2020-09-23 EP disclosed
CN-111448190-A Substituted indole compounds 百时美施贵宝公司 2020-07-24 CN disclosed
WO-2017212345-A2 DETECTING MICROBIAL INFECTION IN WOUNDS SYNOVO GMBH (DE) 2017-12-14 WO 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 (3 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-20230098244-A1 SUBSTITUTED INDOLE COMPOUNDS TLR7, TLR1, HTR7 CSNK2A1 2242/4885HAVCR2 684/4885MTNR1A 10/4885
US-20210253593-A1 SUBSTITUTED INDOLE COMPOUNDS TLR7, TLR1, HTR7 CSNK2A1 2242/4885HAVCR2 684/4885MTNR1A 10/4885
US-11739098-B2 Substituted indole compounds TLR7, TLR1, HTR7 CSNK2A1 2242/4885HAVCR2 684/4885MTNR1A 10/4885

“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.