SCHEMBL3744568

SCHEMBL3744568

Cc1ccc2c(c1C)NCCC2

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SRC P12931 1/20 0.38
UHRF1 Q96T88 1/20 0.34
KDM4E B2RXH2 5/20 0.34
HSD17B10 Q99714 4/20 0.34
ALDH1A1 P00352 3/20 0.34
GAA P10253 3/20 0.34
LMNA P02545 2/20 0.34
CASP1 P29466 2/20 0.34
CASP7 P55210 2/20 0.34
GLA P06280 1/20 0.34
HPGD P15428 1/20 0.34
ALOX15 P16050 3/20 0.33
TDP1 Q9NUW8 3/20 0.33
MAPT P10636 3/20 0.33
MEN1 O00255 2/20 0.33
ALOX12 P18054 2/20 0.33
KMT2A Q03164 2/20 0.33
TP53 P04637 2/20 0.33
HTT P42858 2/20 0.33
ATM Q13315 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
SCHEMBL7659924 0.88 PARP10 (0.39) KDM4EHSD17B10ALOX15MEN1KMT2A
SCHEMBL9394810 0.81 POLB (0.38) SRCUHRF1KDM4EHSD17B10ALDH1A1
SCHEMBL24359106 0.81 SRC (0.36) SRCUHRF1KDM4EHSD17B10ALDH1A1
SCHEMBL10911499 0.81 KDM4E (0.39) SRCUHRF1KDM4EHSD17B10ALDH1A1
SCHEMBL9510659 0.81 PNMT (0.42) SRCKDM4EHSD17B10ALDH1A1GAA
SCHEMBL12533697 0.81 SRC (0.36) SRCKDM4EHSD17B10ALDH1A1GAA
SCHEMBL20904510 0.81 SRC (0.36) SRCKDM4EHSD17B10ALDH1A1GAA
SCHEMBL10909715 0.81 SRC (0.36) SRCKDM4EHSD17B10ALDH1A1GAA
SCHEMBL19511770 0.80 SRC (0.46) SRCKDM4EHSD17B10ALDH1A1GAA
SCHEMBL15800555 0.78 SRC (0.35) SRC

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024105364-A1 HETEROCYCLIC INHIBITORS OF CDC-LIKE KINASES CURADEV PHARMA LTD (GB) 2024-05-23 WO disclosed
EP-2952503-B1 CARBOXYLIC ACID DERIVATIVES AS HIV REPLICATION INHIBITOR SHIONOGI & CO (JP) 2019-10-23 EP disclosed
EP-3305789-A1 NITROGEN-CONTAINING TRICYCLIC DERIVATIVE HAVING HIV REPLICATION INHIBITORY ACTIVITY Shionogi & Co., Ltd. (JP) 2018-04-11 EP disclosed
US-20170107234-A1 TRICYCLIC HETEROCYCLE DERIVATIVES HAVING HIV REPLICATION INHIBITORY EFFECT SHIONOGI & CO., LTD. (JP) 2017-04-20 US disclosed
US-20150361093-A1 HIV REPLICATION INHIBITOR SHIONOGI & CO., LTD. (JP) 2015-12-17 US disclosed
EP-2757096-A9 Inhibitors of human immunodeficiency virus replication GILEAD SCIENCES, INC. (US) 2014-11-26 EP disclosed
EP-2757096-A1 Inhibitors of human immunodeficiency virus replication GILEAD SCIENCES, INC. (US) 2014-07-23 EP disclosed
EP-2220046-B1 INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION GILEAD SCIENCES INC (US) 2014-06-18 EP disclosed
EP-2220084-B1 INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION GILEAD SCIENCES INC (US) 2014-02-19 EP disclosed
US-8461180-B2 Inhibitors of human immunodeficiency virus replication GILEAD SCIENCES, INC. (US) 2013-06-11 US disclosed
EP-2574610-A1 Inhibitors of human immonodeficiency virus replication GILEAD SCIENCES, INC. (US) 2013-04-03 EP disclosed
US-20100280024-A1 RENIN INHIBITORS CADILA HEALTHCARE LIMITED (IN) 2010-11-04 US disclosed
EP-0173208-A1 Tetrahydroquinolin-1-yl-carbonyl-imidazole derivatives NIHON TOKUSHU NOYAKU SEIZO K.K. (JP) 1986-03-05 EP 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-20150361093-A1 HIV REPLICATION INHIBITOR RTF2, REV1, PCNA SRC 2550/4885UHRF1 94/4885KDM4E 546/4885
US-20170107234-A1 TRICYCLIC HETEROCYCLE DERIVATIVES HAVING HIV REPLICATION INHIBITORY EFFECT NR4A1, NR4A3, NR0B1 SRC 1278/4885UHRF1 1439/4885KDM4E 1452/4885
US-20100280024-A1 RENIN INHIBITORS REN, ACE, AGTR1 SRC 1654/4885UHRF1 3937/4885KDM4E 3238/4885

“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.