SCHEMBL3472993

SCHEMBL3472993

Cn1nc(-c2ccncc2)nc2c(=O)n(C)c(=O)nc1-2

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4C Q9H3R0 8/20 1.00
TDP2 O95551 11/20 0.77
RAF1 P04049 2/20 0.77
MAP2K1 Q02750 2/20 0.77
SIRT1 Q96EB6 1/20 0.77
KDM4E B2RXH2 2/20 0.73
NPC1 O15118 2/20 0.73
LMNA P02545 2/20 0.73
POLB P06746 2/20 0.73
MAPT P10636 2/20 0.73
THRB P10828 2/20 0.73
MAPK1 P28482 2/20 0.73
HTT P42858 2/20 0.73
RECQL P46063 2/20 0.73
RAB9A P51151 2/20 0.73
GALK1 P51570 2/20 0.73
BLM P54132 2/20 0.73
KMT2A Q03164 2/20 0.73
NPSR1 Q6W5P4 2/20 0.73
MEN1 O00255 1/20 0.73

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
SCHEMBL2181779 0.87 TDP2 (1.00) KDM4CTDP2RAF1MAP2K1SIRT1
SCHEMBL2183740 0.87 TDP2 (1.00) KDM4CTDP2RAF1MAP2K1SIRT1
SCHEMBL2180580 0.84 TDP2 (1.00) KDM4CTDP2RAF1MAP2K1SIRT1
SCHEMBL2179691 0.84 KDM4C (1.00) KDM4CTDP2RAF1MAP2K1SIRT1
SCHEMBL13272626 0.84 TDP2 (0.74) KDM4CTDP2RAF1MAP2K1SIRT1
SCHEMBL3472472 0.84 TDP2 (1.00) KDM4CTDP2RAF1MAP2K1SIRT1
SCHEMBL2186422 0.82 KDM4C (1.00) KDM4CTDP2RAF1MAP2K1SIRT1
SCHEMBL2183454 0.82 TDP2 (0.76) KDM4CTDP2RAF1MAP2K1SIRT1
SCHEMBL15032641 0.82 TDP2 (0.76) KDM4CTDP2RAF1MAP2K1SIRT1
SCHEMBL15032643 0.80 TDP2 (0.84) KDM4CTDP2RAF1MAP2K1SIRT1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010072807-A2 INHIBITORS OF CYSTATHIONINE BETA SYNTHASE TO REDUCE THE NEUROTOXIC OVERPRODUCTION OF ENDOGENOUS HYDROGEN SULFIDE FONDATION JEROME LEJEUNE (FR) 2010-07-01 WO claimed
US-11129835-B2 Methods and compositions for the inhibition of PIN1 BETH ISRAEL DEACONESS MEDICAL CENTER, INC. (US) 2021-09-28 US disclosed
US-10980835-B2 Arsenic trioxide for treatment of PIN1-associated disorders BETH ISRAEL DEACONESS MEDICAL CENTER, INC. (US) 2021-04-20 US disclosed
US-20200093832-A1 METHODS AND COMPOSITIONS FOR THE INHIBITION OF PIN1 BETH ISRAEL DEACONESS MEDICAL CENTER, INC. 2020-03-26 US disclosed
US-10413548-B2 Methods and compositions for the inhibition of Pin1 BETH ISRAEL DEACONESS MEDICAL CENTER, INC. (US) 2019-09-17 US disclosed
US-20180153934-A1 ARSENIC TRIOXIDE FOR TREATMENT OF PIN1-ASSOCIATED DISORDERS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2018-06-07 US disclosed
US-20180153934-A1 ARSENIC TRIOXIDE FOR TREATMENT OF PIN1-ASSOCIATED DISORDERS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2018-06-07 US disclosed
US-20170304310-A1 METHODS AND COMPOSITIONS FOR THE INHIBITION OF PIN1 NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2017-10-26 US disclosed
US-20170304310-A1 METHODS AND COMPOSITIONS FOR THE INHIBITION OF PIN1 NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2017-10-26 US disclosed
US-9730941-B2 Methods and compositions for the inhibition of Pin1 BETH ISRAEL DEACONESS MEDICAL CENTER, INC. (US) 2017-08-15 US disclosed
US-9730941-B2 Methods and compositions for the inhibition of Pin1 BETH ISRAEL DEACONESS MEDICAL CENTER, INC. (US) 2017-08-15 US disclosed
US-20150133442-A1 METHODS AND COMPOSITIONS FOR THE INHIBITION OF PIN1 NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2015-05-14 US disclosed
US-20150133442-A1 METHODS AND COMPOSITIONS FOR THE INHIBITION OF PIN1 NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2015-05-14 US disclosed
WO-2010072807-A2 INHIBITORS OF CYSTATHIONINE BETA SYNTHASE TO REDUCE THE NEUROTOXIC OVERPRODUCTION OF ENDOGENOUS HYDROGEN SULFIDE FONDATION JEROME LEJEUNE (FR) 2010-07-01 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 (7 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-10980835-B2 Arsenic trioxide for treatment of PIN1-associated disorders PIN1, AS3MT, PML KDM4C 3918/4885TDP2 1535/4885RAF1 971/4885
US-20200093832-A1 METHODS AND COMPOSITIONS FOR THE INHIBITION OF PIN1 PIN1, FKBP1A, FKBP2 KDM4C 2849/4885TDP2 2586/4885RAF1 2122/4885
US-20180153934-A1 ARSENIC TRIOXIDE FOR TREATMENT OF PIN1-ASSOCIATED DISORDERS PIN1, AS3MT, PML KDM4C 3918/4885TDP2 1535/4885RAF1 971/4885
US-20150133442-A1 METHODS AND COMPOSITIONS FOR THE INHIBITION OF PIN1 PIN1, FKBP1A, FKBP2 KDM4C 2849/4885TDP2 2586/4885RAF1 2122/4885
US-20170304310-A1 METHODS AND COMPOSITIONS FOR THE INHIBITION OF PIN1 PIN1, FKBP1A, FKBP2 KDM4C 2849/4885TDP2 2586/4885RAF1 2122/4885
US-11129835-B2 Methods and compositions for the inhibition of PIN1 PIN1, FKBP1A, FKBP2 KDM4C 2849/4885TDP2 2586/4885RAF1 2122/4885
US-10413548-B2 Methods and compositions for the inhibition of Pin1 PIN1, FKBP1A, FKBP2 KDM4C 2849/4885TDP2 2586/4885RAF1 2122/4885

“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.