SCHEMBL21532830

SCHEMBL21532830

CC(C)c1cnc2n1CCOC2

nearest known ligand 0.33

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.32
TP53 P04637 1/20 0.32
MAPT P10636 1/20 0.32
ALDH1A1 P00352 1/20 0.32
POLB P06746 1/20 0.32
MAP4K1 Q92918 1/20 0.31
CDK4 P11802 1/20 0.31
CCND1 P24385 1/20 0.31

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
SCHEMBL19738020 0.77 ALDH1A1 (0.35) LMNATP53MAPTALDH1A1POLB
SCHEMBL24656057 0.73 PIK3CA (0.33) MAPTALDH1A1POLBMAP4K1
SCHEMBL21532827 0.73 AR (0.44) LMNATP53MAPTALDH1A1POLB
SCHEMBL20360628 0.73 P2RX7 (0.32) LMNATP53MAPTALDH1A1POLB
SCHEMBL23707053 0.72 CPB2 (0.39) LMNATP53MAPTALDH1A1POLB
SCHEMBL20370769 0.72 ALDH1A1 (0.32) LMNAALDH1A1POLBMAP4K1
SCHEMBL14701605 0.71 HPGD (0.47) LMNATP53MAPTALDH1A1POLB
SCHEMBL18365809 0.71 POLB (0.41) LMNATP53MAPTALDH1A1POLB
SCHEMBL23108977 0.70 HPGD (0.50) LMNAMAPTALDH1A1POLB
SCHEMBL16602433 0.70 WNT1 (0.34)

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
US-20240025898-A1 HPK1 ANTAGONISTS AND USES THEREOF SCHRÖDINGER, INC. 2024-01-25 US disclosed
US-20240025898-A1 HPK1 ANTAGONISTS AND USES THEREOF SCHRÖDINGER, INC. 2024-01-25 US disclosed
US-11820766-B2 Monoacylglycerol lipase modulators JANSSEN PHARMACEUTICA NV (BE) 2023-11-21 US disclosed
WO-2023159307-A1 POLO-LIKE KINASE 4 (PLK4) INHIBITORS, PHARMACEUTICAL COMPOSITIONS, METHODS OF PREPARATION AND USES THEREOF REPARE THERAPEUTICS INC. (CA) 2023-08-31 WO disclosed
US-11548890-B1 HPK1 antagonists and uses thereof Nimbus Saturn, Inc. (US) 2023-01-10 US disclosed
US-20220106327-A1 INHIBITORS OF APOL1 AND METHODS OF USING SAME VERTEX PHARMACEUTICALS INCORPORATED (US) 2022-04-07 US disclosed
US-20210087190-A1 SUBSTITUTED ISOINDOLIN-1-ONES AND 2,3-DIHYDRO-1H-PYRROLO[3,4-c]PYRIDIN-1-ONES AS HPK1 ANTAGONISTS CHARLES RIVER DISCOVERY RESEARCH SERVICES UK LIMITED (GB) 2021-03-25 US disclosed
US-20210087189-A1 SUBSTITUTED ISINDOLIN-1-ONES AND 2,3-DIHYDRO-1H-PYRROLO[3,3-c]PYRIDIN-1-ONES AS HPK1 ANTAGONISTS CHARLES RIVER DISCOVERY RESEARCH SERVICES UK LIMITED (GB) 2021-03-25 US disclosed
US-20210078996-A1 HPK1 ANTAGONISTS AND USES THEREOF CHARLES RIVER DISCOVERY RESEARCH SERVICES UK LIMITED (GB) 2021-03-18 US disclosed
US-20210078997-A1 SUBSTITUTED ISOINDOLIN-1-ONES AND 2,3-DIHYDRO-1H-PYRROL[3,4-c]PYRIDIN-1-ONES AS HPK1 ANTAGONISTS CHARLES RIVER DISCOVERY RESEARCH SERVICES UK LIMITED (GB) 2021-03-18 US disclosed
US-10787430-B2 Hemoglobin modifier compounds and uses thereof FRONTHERA U.S. PHARMACEUTICALS LLC (US) 2020-09-29 US disclosed
WO-2020065613-A1 MONOACYLGLYCEROL LIPASE MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2020-04-02 WO disclosed
US-20190330181-A1 HEMOGLOBIN MODIFIER COMPOUNDS AND USES THEREOF SICHUAN HAISCO PHARMACEUTICAL CO., LTD. (CN) 2019-10-31 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 (10 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-11548890-B1 HPK1 antagonists and uses thereof PDXK, HIPK1, PCK1 LMNA 3355/4885TP53 2599/4885MAPT 3895/4885
US-20220106327-A1 INHIBITORS OF APOL1 AND METHODS OF USING SAME APOL1, PNLIP, APOB LMNA 2530/4885TP53 1706/4885MAPT 384/4885
US-20240025898-A1 HPK1 ANTAGONISTS AND USES THEREOF PDXK, HIPK1, PCK1 LMNA 3355/4885TP53 2599/4885MAPT 3895/4885
US-20190330181-A1 HEMOGLOBIN MODIFIER COMPOUNDS AND USES THEREOF HBB, HBG1, HBG2 LMNA 197/4885TP53 979/4885MAPT 2719/4885
US-10787430-B2 Hemoglobin modifier compounds and uses thereof HBB, HBG1, HBG2 LMNA 197/4885TP53 979/4885MAPT 2719/4885
US-20210087190-A1 SUBSTITUTED ISOINDOLIN-1-ONES AND 2,3-DIHYDRO-1H-PYRROLO[3,4-c]PYRIDIN-1-ONES AS HPK1 ANTAGONISTS HIPK1, PDXK, IP6K1 LMNA 2721/4885TP53 2424/4885MAPT 3245/4885
US-20210078997-A1 SUBSTITUTED ISOINDOLIN-1-ONES AND 2,3-DIHYDRO-1H-PYRROL[3,4-c]PYRIDIN-1-ONES AS HPK1 ANTAGONISTS HIPK1, PDXK, IP6K1 LMNA 2638/4885TP53 2193/4885MAPT 3099/4885
US-20210078996-A1 HPK1 ANTAGONISTS AND USES THEREOF PDXK, HIPK1, PCK1 LMNA 3355/4885TP53 2599/4885MAPT 3895/4885
US-20210087189-A1 SUBSTITUTED ISINDOLIN-1-ONES AND 2,3-DIHYDRO-1H-PYRROLO[3,3-c]PYRIDIN-1-ONES AS HPK1 ANTAGONISTS HIPK1, PDXK, SIK1 LMNA 2455/4885TP53 2984/4885MAPT 3564/4885
US-11820766-B2 Monoacylglycerol lipase modulators MGLL, LPL, PNLIP LMNA 1308/4885TP53 4303/4885MAPT 2516/4885

“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.