SCHEMBL16148276

SCHEMBL16148276

COc1cc(-c2ccc3c(-n4cnc5ccccc54)cccc3c2)ccc1C(=O)O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NEK2 P51955 1/20 0.43
PLK1 P53350 1/20 0.43
ADRA2B P18089 2/20 0.42
FGFR1 P11362 3/20 0.42
SRC P12931 1/20 0.42
HPGD P15428 7/20 0.42
ALDH1A1 P00352 4/20 0.42
KDM4E B2RXH2 3/20 0.42
HSD17B10 Q99714 1/20 0.42
MAPT P10636 1/20 0.42
RAB9A P51151 1/20 0.42
KMT2A Q03164 1/20 0.42
TSHR P16473 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
ATM Q13315 1/20 0.41
AGTR1 P30556 1/20 0.40
AGTR2 P50052 1/20 0.40
DHODH Q02127 2/20 0.40
CHEK1 O14757 1/20 0.39
LMNA P02545 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
SCHEMBL16148348 0.91 FGFR1 (0.48) NEK2PLK1ADRA2BFGFR1SRC
SCHEMBL16147619 0.87 GAK (0.47) NEK2PLK1FGFR1SRCHPGD
SCHEMBL16147613 0.86 CDK2 (0.48) NEK2PLK1ADRA2BFGFR1HPGD
SCHEMBL16148177 0.82 ALDH1A1 (0.49) FGFR1HPGDALDH1A1MAPTKMT2A
SCHEMBL16148143 0.81 FGFR1 (0.41) NEK2PLK1ADRA2BFGFR1HPGD
SCHEMBL16148087 0.81 HTT (0.55) PLK1FGFR1HPGDALDH1A1KDM4E
SCHEMBL16147477 0.81 FGFR1 (0.60) ADRA2BFGFR1HPGDALDH1A1KDM4E
SCHEMBL17531394 0.81 HTT (0.46) FGFR1ALDH1A1KDM4EMAPTRAB9A
SCHEMBL16158499 0.79 CYP11B1 (0.49) NEK2PLK1ADRA2BFGFR1SRC
SCHEMBL16147758 0.78 HPGD (0.48) NEK2PLK1ADRA2BFGFR1SRC

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
US-10617685-B2 Nonsteroidal and steroidal compounds with potent androgen receptor down-regulation and anti prostate cancer activity UNIVERSITY OF MARYLAND, BALTIMORE (US) 2020-04-14 US disclosed
US-10617685-B2 Nonsteroidal and steroidal compounds with potent androgen receptor down-regulation and anti prostate cancer activity UNIVERSITY OF MARYLAND, BALTIMORE (US) 2020-04-14 US disclosed
EP-3514147-A1 STEROIDAL COMPOUNDS WITH POTENT ANDROGEN RECEPTOR DOWN-REGULATION AND ANTI PROSTATE CANCER ACTIVITY University of Maryland, Baltimore (US) 2019-07-24 EP disclosed
US-20170266181-A1 NONSTEROIDAL AND STEROIDAL COMPOUNDS WITH POTENT ANDROGEN RECEPTOR DOWN-REGULATION AND ANTI PROSTATE CANCER ACTIVITY UNIVERSITY OF MARYLAND, BALTIMORE (US) 2017-09-21 US disclosed
US-20170266181-A1 NONSTEROIDAL AND STEROIDAL COMPOUNDS WITH POTENT ANDROGEN RECEPTOR DOWN-REGULATION AND ANTI PROSTATE CANCER ACTIVITY UNIVERSITY OF MARYLAND, BALTIMORE (US) 2017-09-21 US disclosed
US-20170266181-A1 NONSTEROIDAL AND STEROIDAL COMPOUNDS WITH POTENT ANDROGEN RECEPTOR DOWN-REGULATION AND ANTI PROSTATE CANCER ACTIVITY UNIVERSITY OF MARYLAND, BALTIMORE (US) 2017-09-21 US disclosed
US-9694005-B2 Nonsteroidal and steroidal compounds with potent androgen receptor down-regulation and anti prostate cancer activity UNIVERSITY OF MARYLAND, BALTIMORE (US) 2017-07-04 US disclosed
EP-2991644-A2 NONSTEROIDAL AND STEROIDAL COMPOUNDS WITH POTENT ANDROGEN RECEPTOR DOWN-REGULATION AND ANTI PROSTATE CANCER ACTIVITY University of Maryland, Baltimore (US) 2016-03-09 EP disclosed
US-20160038476-A1 NONSTEROIDAL AND STEROIDAL COMPOUNDS WITH POTENT ANDROGEN RECEPTOR DOWN-REGULATION AND ANTI PROSTATE CANCER ACTIVITY UNIVERSITY OF MARYLAND, BALTIMORE (US) 2016-02-11 US disclosed
WO-2014165815-A2 NONSTEROIDAL AND STEROIDAL COMPOUNDS WITH POTENT ANDROGEN RECEPTOR DOWN-REGULATION AND ANTI PROSTATE CANCER ACTIVITY UNIVERSITY OF MARYLAND, BALTIMORE (US) 2014-10-09 WO disclosed
WO-2014165815-A2 NONSTEROIDAL AND STEROIDAL COMPOUNDS WITH POTENT ANDROGEN RECEPTOR DOWN-REGULATION AND ANTI PROSTATE CANCER ACTIVITY UNIVERSITY OF MARYLAND, BALTIMORE (US) 2014-10-09 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-20160038476-A1 NONSTEROIDAL AND STEROIDAL COMPOUNDS WITH POTENT ANDROGEN RECEPTOR DOWN-REGULATION AND ANTI PROSTATE CANCER ACTIVITY AR, NR5A1, BRCA1 NEK2 3211/4885PLK1 2782/4885ADRA2B 301/4885
US-10617685-B2 Nonsteroidal and steroidal compounds with potent androgen receptor down-regulation and anti prostate cancer activity AR, NR5A1, BRCA1 NEK2 3211/4885PLK1 2782/4885ADRA2B 301/4885
US-20170266181-A1 NONSTEROIDAL AND STEROIDAL COMPOUNDS WITH POTENT ANDROGEN RECEPTOR DOWN-REGULATION AND ANTI PROSTATE CANCER ACTIVITY AR, NR5A1, BRCA1 NEK2 3211/4885PLK1 2782/4885ADRA2B 301/4885

“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.