SCHEMBL10064767

SCHEMBL10064767

CC(C)(C)c1cn2c(n1)CCCC2

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 4/20 0.53
▸ ALDH1A1 P00352 3/20 0.53
▸ WDR5 P61964 9/20 0.42
▸ PDPK1 O15530 1/20 0.41
▸ NPC1 O15118 6/20 0.40
▸ RAB9A P51151 6/20 0.40
▸ HTT P42858 3/20 0.40
▸ SMN1; SMN2 Q16637 2/20 0.40
▸ KMT2A Q03164 2/20 0.40
▸ GAA P10253 1/20 0.40
▸ KDM4E B2RXH2 1/20 0.39
▸ TSHR P16473 1/20 0.38
▸ TP53 P04637 2/20 0.36
▸ P2RX7 Q99572 1/20 0.36
▸ HPGD P15428 1/20 0.36
▸ HSD17B10 Q99714 1/20 0.36
▸ HRH3 Q9Y5N1 1/20 0.36
▸ MAPT P10636 1/20 0.36
▸ RXFP1 Q9HBX9 1/20 0.36

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
SCHEMBL13424013 0.98 LMNA (0.51) LMNAALDH1A1WDR5PDPK1NPC1
SCHEMBL13424006 0.94 WDR5 (0.47) LMNAALDH1A1WDR5NPC1RAB9A
SCHEMBL16739774 0.81 ALDH1A1 (0.45) LMNAALDH1A1WDR5PDPK1NPC1
SCHEMBL408221 0.76 LMNA (0.56) LMNAALDH1A1WDR5PDPK1NPC1
SCHEMBL24869886 0.74 LMNA (0.54) LMNAALDH1A1WDR5PDPK1NPC1
SCHEMBL25768436 0.74 LMNA (0.54) LMNAALDH1A1WDR5PDPK1NPC1
SCHEMBL25772015 0.74 LMNA (0.54) LMNAALDH1A1WDR5PDPK1NPC1
SCHEMBL24879991 0.74 LMNA (0.54) LMNAALDH1A1WDR5PDPK1NPC1
SCHEMBL2716549 0.74 LMNA (0.49) LMNAALDH1A1WDR5PDPK1NPC1
SCHEMBL25086261 0.73 P2RX7 (0.42) P2RX7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240025849-A1 INHIBITORS OF NO PRODUCTION CHARITÉ - UNIVERSITÄTSMEDIZIN BERLIN (DE) 2024-01-25 — — US disclosed
US-20230054854-A1 COMBINATIONS RECURIUM IP HOLDINGS, LLC 2023-02-23 — — US disclosed
US-20230014226-A1 NEW COMPOUNDS AND METHODS BENEVOLENTAI BIO LIMITED (GB) 2023-01-19 — — US disclosed
WO-2022043465-A1 INHIBITORS OF NO PRODUCTION MAX DELBRÜCK-CENTRUM FÜR MOLEKULARE MEDIZIN IN DER HELMHOLTZ-GEMEINSCHAFT (DE) 2022-03-03 — — WO disclosed
US-20220024939-A1 SUBSTITUTED 1,2-DIHYDRO-3H-PYRAZOLO[3,4-D]PYRIMIDIN-3-ONES RECURIUM IP HOLDINGS, LLC 2022-01-27 — — US disclosed
US-20210147427-A1 PYRAZOLO-TRIAZINE AND/OR PYRAZOLO-PYRIMIDINE DERIVATIVES AS SELECTIVE INHIBITOR OF CYCLIN DEPENDENT KINASE LEAD DISCOVERY CENTER GMBH (DE) 2021-05-20 — — US disclosed
US-20210139482-A1 SUBSTITUTED 1,2-DIHYDRO-3H-PYRAZOLO[3,4-D]PYRIMIDIN-3-ONES RECURIUM IP HOLDINGS, LLC 2021-05-13 — — US disclosed
US-20210139483-A1 PHARMACEUTICALLY ACTIVE PYRAZOLO-TRIAZINE AND/OR PYRAZOLO-PYRIMIDINE DERIVATIVES LEAD DISCOVERY CENTER GMBH (DE) 2021-05-13 — — US disclosed
US-20170313708-A1 NONANOIC AND DECANOIC ACID DERIVATIVES AND USES THEREOF FELIQS CORPORATION (JP) 2017-11-02 — — US disclosed
US-20160297810-A1 NOVEL VIRAL REPLICATION INHIBITORS KATHOLIEKE UNIVERSITEIT LEUVEN (BE) 2016-10-13 — — US disclosed
US-20140213586-A1 VIRAL REPLICATION INHIBITORS KATHOLIEKE UNIVERSITEIT LEUVEN, K.U. LEUVEN R&D (BE) 2014-07-31 — — US disclosed
US-8623898-B2 Glycine transporter inhibiting substances TAISHO PHARMACEUTICAL CO., LTD. (JP) 2014-01-07 — — US disclosed
US-8623898-B2 Glycine transporter inhibiting substances TAISHO PHARMACEUTICAL CO., LTD. (JP) 2014-01-07 — — US disclosed
US-20120010414-A1 GLYCINE TRANSPORTER INHIBITING SUBSTANCES TAISHO PHARMACEUTICAL CO., LTD. (JP) 2012-01-12 — — US disclosed
US-20120010414-A1 GLYCINE TRANSPORTER INHIBITING SUBSTANCES TAISHO PHARMACEUTICAL CO., LTD. (JP) 2012-01-12 — — 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 (11 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-20120010414-A1 GLYCINE TRANSPORTER INHIBITING SUBSTANCES SLC18A2, SLC1A2, SLC6A1 LMNA 3715/4885ALDH1A1 1730/4885WDR5 4296/4885
US-20210139483-A1 PHARMACEUTICALLY ACTIVE PYRAZOLO-TRIAZINE AND/OR PYRAZOLO-PYRIMIDINE DERIVATIVES IL5, THPO, TYMP LMNA 3611/4885ALDH1A1 349/4885WDR5 678/4885
US-20140213586-A1 VIRAL REPLICATION INHIBITORS EIF2AK2, MAVS, ZC3HAV1 LMNA 2214/4885ALDH1A1 4277/4885WDR5 2115/4885
US-20160297810-A1 NOVEL VIRAL REPLICATION INHIBITORS EIF2AK2, MAVS, IRF3 LMNA 2549/4885ALDH1A1 4494/4885WDR5 1819/4885
US-20240025849-A1 INHIBITORS OF NO PRODUCTION NOS2, NOS1, NOS3 LMNA 3820/4885ALDH1A1 587/4885WDR5 3472/4885
US-20210139482-A1 SUBSTITUTED 1,2-DIHYDRO-3H-PYRAZOLO[3,4-D]PYRIMIDIN-3-ONES MKI67, BRCA1, CCNI LMNA 4209/4885ALDH1A1 127/4885WDR5 1788/4885
US-20230014226-A1 NEW COMPOUNDS AND METHODS ABL2, ABL1, ALK LMNA 1857/4885ALDH1A1 651/4885WDR5 2987/4885
US-20230054854-A1 COMBINATIONS WEE2, WEE1, BCL2 LMNA 2810/4885ALDH1A1 2291/4885WDR5 1870/4885
US-20220024939-A1 SUBSTITUTED 1,2-DIHYDRO-3H-PYRAZOLO[3,4-D]PYRIMIDIN-3-ONES MKI67, BRCA1, CCNI LMNA 4209/4885ALDH1A1 127/4885WDR5 1788/4885
US-20170313708-A1 NONANOIC AND DECANOIC ACID DERIVATIVES AND USES THEREOF FFAR3, FFAR2, FFAR1 LMNA 2657/4885ALDH1A1 1356/4885WDR5 2940/4885
US-20210147427-A1 PYRAZOLO-TRIAZINE AND/OR PYRAZOLO-PYRIMIDINE DERIVATIVES AS SELECTIVE INHIBITOR OF CYCLIN DEPENDENT KINASE CDK1, CDK2, CDK15 LMNA 2477/4885ALDH1A1 1986/4885WDR5 539/4885

“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.

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