SCHEMBL7724928

SCHEMBL7724928

Cc1cc2ncn(C(C)C)c2cc1C

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.56
SMN1; SMN2 Q16637 3/20 0.53
HCAR3 P49019 1/20 0.50
LMNA P02545 2/20 0.46
KDM4E B2RXH2 4/20 0.46
RAB9A P51151 3/20 0.46
NPC1 O15118 2/20 0.46
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
GAA P10253 2/20 0.45
GGPS1 O95749 1/20 0.44
FDPS P14324 1/20 0.44
KCNH2 Q12809 1/20 0.42
ALDH1A1 P00352 2/20 0.41
TP53 P04637 1/20 0.41
TSHR P16473 1/20 0.41
NPSR1 Q6W5P4 1/20 0.40
GFER P55789 1/20 0.40
FABP6 P51161 1/20 0.40

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
SCHEMBL17563260 0.85 HCAR3 (0.45) POLBSMN1; SMN2HCAR3LMNAKDM4E
SCHEMBL19911299 0.82 POLB (0.54) POLBSMN1; SMN2LMNAKDM4ERAB9A
SCHEMBL18762227 0.79 TDP1 (0.46) POLBSMN1; SMN2HCAR3LMNAKDM4E
SCHEMBL12747298 0.78 HCAR3 (0.49) POLBSMN1; SMN2HCAR3KDM4ERAB9A
SCHEMBL14726018 0.78 HCAR3 (0.49) POLBSMN1; SMN2HCAR3KDM4ERAB9A
SCHEMBL12464366 0.78 HCAR3 (0.53) POLBSMN1; SMN2HCAR3KDM4ERAB9A
SCHEMBL11396992 0.77 RAB9A (0.61) POLBSMN1; SMN2HCAR3KDM4ERAB9A
SCHEMBL7732282 0.77 RAB9A (0.50) SMN1; SMN2HCAR3KDM4ERAB9ANPC1
SCHEMBL19014233 0.77 HCAR3 (0.44) POLBSMN1; SMN2HCAR3KDM4ERAB9A
SCHEMBL18937427 0.76 FGFR1 (0.51) SMN1; SMN2HCAR3KDM4ERAB9ANPC1

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 36 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230295145-A1 PYRROLIDINE DERIVATIVES AND METHODS OF USE GENENTECH INC (US) 2023-09-21 US disclosed
US-20230295145-A1 PYRROLIDINE DERIVATIVES AND METHODS OF USE GENENTECH INC (US) 2023-09-21 US disclosed
US-20230012449-A1 COMPOUNDS FOR THE TREATMENT OF HIV GILEAD SCIENCES, INC. 2023-01-12 US disclosed
WO-2022115879-A1 PYRROLIDINE DERIVATIVES AND METHODS OF USE GENENTECH, INC. (US) 2022-06-02 WO disclosed
EP-3409667-B1 AMIDE COMPOUNDS FOR THE TREATMENT OF HIV INFECTIONS GILEAD SCIENCES INC (US) 2021-07-21 EP disclosed
US-11034668-B2 Compounds for the treatment of HIV GILEAD SCIENCES, INC. (US) 2021-06-15 US disclosed
US-10756394-B2 Nonaqueous electrolyte and nonaqueous secondary battery ASAHI KASEI KABUSHIKI KAISHA (JP) 2020-08-25 US disclosed
US-10370358-B2 Compounds for the treatment of HIV GILEAD SCIENCES, INC. (US) 2019-08-06 US disclosed
EP-3467930-A1 NONAQUEOUS ELECTROLYTE AND NONAQUEOUS SECONDARY BATTERY ASAHI KASEI KABUSHIKI KAISHA (JP) 2019-04-10 EP disclosed
US-20180222856-A1 SELECTIVE INHIBITORS OF CARBONIC ANHYDRASE VILNIUS UNIVERSITY (LT) 2018-08-09 US disclosed
US-9220710-B2 Therapeutic compounds GILEAD SCIENCES, INC. (US) 2015-12-29 US disclosed
US-20150307477-A1 THERAPEUTIC COMPOUNDS AND RELATED METHODS OF USE GALENEA CORPORATION 2015-10-29 US disclosed
US-9073890-B2 Therapeutic compounds and related methods of use OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2015-07-07 US disclosed
US-20140221421-A1 THERAPEUTIC COMPOUNDS GILEAD SCIENCES, INC. (US) 2014-08-07 US disclosed
US-20140221421-A1 THERAPEUTIC COMPOUNDS GILEAD SCIENCES, INC. (US) 2014-08-07 US disclosed
US-20140142085-A1 COMPOUNDS FOR THE TREATMENT OF HIV GILEAD SCIENCES, INC. (US) 2014-05-22 US disclosed
US-20130053341-A1 THERAPEUTIC COMPOUNDS AND RELATED METHODS OF USE OTSUKA PHARMACEUTICAL COMPANY (JP) 2013-02-28 US disclosed
US-6875765-B2 Arylsulfonamide ethers, and methods of use thereof WARNER-LAMBERT COMPANY (US) 2005-04-05 US disclosed
US-6875765-B2 Arylsulfonamide ethers, and methods of use thereof WARNER-LAMBERT COMPANY (US) 2005-04-05 US disclosed
US-4460709-A Process for producing oxygen-containing organic compounds AGENCY OF INDUSTRIAL SCIENCE & TECHNOLOGY (JP) 1984-07-17 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 (10 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 POLB 1747/4885SMN1; SMN2 3500/4885HCAR3 3562/4885
US-20150307477-A1 THERAPEUTIC COMPOUNDS AND RELATED METHODS OF USE PPP4C, PTPRG, PPP2CA POLB 4315/4885SMN1; SMN2 3273/4885HCAR3 1848/4885
US-20230295145-A1 PYRROLIDINE DERIVATIVES AND METHODS OF USE DPYD, TP53, GLS POLB 37/4885SMN1; SMN2 2183/4885HCAR3 2164/4885
US-20180222856-A1 SELECTIVE INHIBITORS OF CARBONIC ANHYDRASE CA9, CA2, CA7 POLB 1960/4885SMN1; SMN2 1259/4885HCAR3 1707/4885
US-10756394-B2 Nonaqueous electrolyte and nonaqueous secondary battery BPTF, BRD4, KCNN2 POLB 118/4885SMN1; SMN2 3476/4885HCAR3 4636/4885
US-11034668-B2 Compounds for the treatment of HIV CCR5, NPC1, FURIN POLB 1747/4885SMN1; SMN2 3500/4885HCAR3 3562/4885
US-20140221421-A1 THERAPEUTIC COMPOUNDS HAVCR2, SARS1, G6PD POLB 905/4885SMN1; SMN2 532/4885HCAR3 4667/4885
US-20140142085-A1 COMPOUNDS FOR THE TREATMENT OF HIV CCR5, NPC1, FURIN POLB 1747/4885SMN1; SMN2 3500/4885HCAR3 3562/4885
US-20130053341-A1 THERAPEUTIC COMPOUNDS AND RELATED METHODS OF USE PPP4C, PPP3CB, PTPRG POLB 4269/4885SMN1; SMN2 3347/4885HCAR3 2588/4885
US-20230012449-A1 COMPOUNDS FOR THE TREATMENT OF HIV CCR5, NPC1, FURIN POLB 1747/4885SMN1; SMN2 3500/4885HCAR3 3562/4885

“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.