SCHEMBL4548621

SCHEMBL4548621

CC(C)(C)c1ccc2c(C(C)(C)C)ccnc2c1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
FGFR2 P21802 6/20 0.42
GAK O14976 2/20 0.39
RIPK2 O43353 1/20 0.39
COQ8A Q8NI60 1/20 0.39
NLK Q9UBE8 1/20 0.39
NR1I2 O75469 1/20 0.36
ADRB2 P07550 1/20 0.36
NCF1 P14598 1/20 0.36
KIF11 P52732 3/20 0.36
ALDH1A1 P00352 1/20 0.35
HPGD P15428 1/20 0.35
ALOX15 P16050 1/20 0.35
HSD17B10 Q99714 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
TGFBR1 P36897 1/20 0.35
HRH4 Q9H3N8 2/20 0.35
HRH3 Q9Y5N1 2/20 0.35
METAP2 P50579 1/20 0.34
AAK1 Q2M2I8 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
SCHEMBL2608416 0.88 ADRB2 (0.49) GAKRIPK2COQ8ANLKADRB2
SCHEMBL21652114 0.86 MAPK1 (0.37) FGFR2GAKADRB2NCF1ALDH1A1
SCHEMBL17811239 0.85 RIPK2 (0.48) FGFR2GAKRIPK2COQ8ANLK
SCHEMBL10315757 0.81 HTR1A (0.51) FGFR2ALDH1A1AAK1
SCHEMBL2608428 0.80 NR4A2 (0.56) ALOX15HSD17B10TDP1
SCHEMBL21325506 0.80 ALOX5AP (0.42) FGFR2GAKRIPK2COQ8ANLK
SCHEMBL15043743 0.80 FGFR2 (0.41) FGFR2GAKRIPK2COQ8ANLK
SCHEMBL11059904 0.80 ALDH1A1 (0.47) FGFR2GAKRIPK2COQ8ANLK
SCHEMBL14549628 0.80 FERMT2 (0.45) GAKAAK1
SCHEMBL2608427 0.77 HTR1A (0.55) FGFR2GAKRIPK2COQ8ANLK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11446389-B2 Maytansinoid derivatives, conjugates thereof, and methods of use REGENERON PHARMACEUTICALS, INC. (US) 2022-09-20 US disclosed
US-20210309679-A1 BISPHOSPHONATE DRUG CONJUGATES GUANGZHOU OTHROTX CO., LTD. (CN) 2021-10-07 US disclosed
US-20200121806-A1 MAYTANSINOID DERIVATIVES, CONJUGATES THEREOF, AND METHODS OF USE REGENERON PHARMACEUTICALS, INC. 2020-04-23 US disclosed
US-9950076-B2 Maytansinoid derivatives, conjugates thereof, and methods of use REGENERON PHARMACEUTICALS, INC. (US) 2018-04-24 US disclosed
US-20170209591-A1 MAYTANSINOID DERIVATIVES, CONJUGATES THEREOF, AND METHODS OF USE REGENERON PHARMACEUTICALS, INC. 2017-07-27 US disclosed
US-20170209591-A1 MAYTANSINOID DERIVATIVES, CONJUGATES THEREOF, AND METHODS OF USE REGENERON PHARMACEUTICALS, INC. 2017-07-27 US disclosed
US-20160375147-A1 MAYTANSINOID DERIVATIVES, CONJUGATES THEREOF, AND METHODS OF USE REGENERON PHARMACEUTICALS, INC. 2016-12-29 US disclosed
US-8178557-B2 Compounds and methods of use AMGEN INC. (US) 2012-05-15 US disclosed
US-20090176774-A1 Compounds and methods of use AMGEN INC. (US) 2009-07-09 US disclosed
US-7435823-B2 Compounds and methods of use AMGEN INC. (US) 2008-10-14 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 (6 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-20210309679-A1 BISPHOSPHONATE DRUG CONJUGATES SOST, TGFB1, TGFB2 FGFR2 78/4885GAK 2821/4885RIPK2 1726/4885
US-20160375147-A1 MAYTANSINOID DERIVATIVES, CONJUGATES THEREOF, AND METHODS OF USE SLC10A1, HNMT, OGFR FGFR2 2218/4885GAK 1870/4885RIPK2 4830/4885
US-20170209591-A1 MAYTANSINOID DERIVATIVES, CONJUGATES THEREOF, AND METHODS OF USE HNMT, SLC10A1, SLC10A2 FGFR2 1989/4885GAK 1639/4885RIPK2 4825/4885
US-20090176774-A1 Compounds and methods of use HGF, HGFAC, MET FGFR2 26/4885GAK 1644/4885RIPK2 4106/4885
US-20200121806-A1 MAYTANSINOID DERIVATIVES, CONJUGATES THEREOF, AND METHODS OF USE HNMT, SLC10A1, SLC10A2 FGFR2 1989/4885GAK 1639/4885RIPK2 4825/4885
US-11446389-B2 Maytansinoid derivatives, conjugates thereof, and methods of use HNMT, SLC10A1, SLC10A2 FGFR2 1989/4885GAK 1639/4885RIPK2 4825/4885

“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.