SCHEMBL9976596

SCHEMBL9976596

CC(C)CN1CCC(C(C)C)C1

nearest known ligand 0.45

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 4/20 0.45
HRH3 Q9Y5N1 3/20 0.34
POLB P06746 1/20 0.31
CYP2D6 P10635 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
KDM4E B2RXH2 2/20 0.30
ALDH1A1 P00352 1/20 0.30
TDP1 Q9NUW8 1/20 0.30

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
SCHEMBL18074011 1.00 PIK3CD (0.45) PIK3CDHRH3POLBCYP2D6SMN1; SMN2
SCHEMBL25557379 0.88 PIK3CD (0.42) PIK3CDHRH3POLBSMN1; SMN2KDM4E
SCHEMBL6124875 0.86 PIK3CD (0.43) PIK3CDHRH3CYP2D6SMN1; SMN2KDM4E
SCHEMBL24607248 0.83 PIK3CD (0.42) PIK3CDHRH3POLBKDM4E
SCHEMBL26296782 0.83 CCL5 (0.31) PIK3CD
SCHEMBL26287164 0.83 CCL5 (0.31) PIK3CD
SCHEMBL18664106 0.82 SMN1; SMN2 (0.38) PIK3CDSMN1; SMN2
SCHEMBL4762401 0.82 SMN1; SMN2 (0.38) PIK3CDSMN1; SMN2
SCHEMBL15837587 0.82 SMN1; SMN2 (0.38) PIK3CDSMN1; SMN2
SCHEMBL2600877 0.81 PIK3CD (0.52) PIK3CDCYP2D6SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240067642-A1 COMPOUNDS AND USES THEREOF FOGHORN THERAPEUTICS INC. 2024-02-29 US disclosed
US-20240067642-A1 COMPOUNDS AND USES THEREOF FOGHORN THERAPEUTICS INC. 2024-02-29 US disclosed
US-20230331722-A1 COMPOUNDS AND USES THEREOF FOGHORN THERAPEUTICS INC. 2023-10-19 US disclosed
US-20230331722-A1 COMPOUNDS AND USES THEREOF FOGHORN THERAPEUTICS INC. 2023-10-19 US disclosed
US-20230312587-A1 PTERIDINONE COMPOUNDS AND USES THEREOF VERTEX PHARMACEUTICALS INCORPORATED 2023-10-05 US disclosed
US-11767330-B2 Citrate salt, pharmaceutical compositions, and methods of making and using the same FOGHORN THERAPEUTICS INC. (US) 2023-09-26 US disclosed
US-20230295118-A1 COMPOUNDS AND METHODS FOR THE TARGETED DEGRADATION OF CYCLIN DEPENDENT KINASES ENDOTARGET INC. 2023-09-21 US disclosed
US-20230142883-A1 COMPOUNDS AND USES THEREOF FOGHORN THERAPEUTICS INC. 2023-05-11 US disclosed
US-20230145336-A1 BRAF DEGRADERS C4 THERAPEUTICS, INC. (US) 2023-05-11 US disclosed
US-20230142883-A1 COMPOUNDS AND USES THEREOF FOGHORN THERAPEUTICS INC. 2023-05-11 US disclosed
US-20230066136-A1 COMPOUNDS AND USES THEREOF FOGHORN THERAPEUTICS INC. 2023-03-02 US disclosed
US-20230065463-A1 COMPOUNDS AND USES THEREOF FOGHORN THERAPEUTICS INC. 2023-03-02 US disclosed
US-11560381-B1 Compounds and uses thereof FOGHORN THERAPEUTICS INC. (US) 2023-01-24 US disclosed
WO-2023283263-A1 CITRATE SALT, PHARMACEUTICAL COMPOSITIONS, AND METHODS OF MAKING AND USING THE SAME FOGHORN THERAPEUTICS INC. (US) 2023-01-12 WO disclosed
WO-2020160196-A1 COMPOUNDS AND USES THEREOF FOGHORN THERAPEUTICS INC. (US) 2020-08-06 WO disclosed
US-9354180-B2 Quantifying the level of intermacromolecular interactions by using pyrene excimer formation Afron Chemical Corporation (US) 2016-05-31 US disclosed
US-20160077012-A1 Quantifying the Level of Intermacromolecular Interactions by Using Pyrene Excimer Formation AFTON CHEMICAL CORPORATION (US) 2016-03-17 US disclosed
US-8202887-B2 2-(substituted-amino)-benzothiazole sulfonamide HIV protease inhibitors JANSSEN R&D IRELAND (IE) 2012-06-19 US disclosed
US-20090209583-A1 2-(SUBSTITUTED-AMINO)-BENZOTHIAZOLE SULFONAMIDE HIV PROTEASE INHIBITORS JANSSEN SCIENCES IRELAND UC (IE) 2009-08-20 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-20090209583-A1 2-(SUBSTITUTED-AMINO)-BENZOTHIAZOLE SULFONAMIDE HIV PROTEASE INHIBITORS SPINT2, PEPD, DNPEP PIK3CD 2138/4885HRH3 2231/4885POLB 1095/4885
US-20230295118-A1 COMPOUNDS AND METHODS FOR THE TARGETED DEGRADATION OF CYCLIN DEPENDENT KINASES CDK6, CDK4, CDK1 PIK3CD 1509/4885HRH3 2877/4885POLB 801/4885
US-20230066136-A1 COMPOUNDS AND USES THEREOF VHL, TFEB, BECN1 PIK3CD 1598/4885HRH3 2014/4885POLB 86/4885
US-20230331722-A1 COMPOUNDS AND USES THEREOF VHL, TFEB, BECN1 PIK3CD 1598/4885HRH3 2014/4885POLB 86/4885
US-20230145336-A1 BRAF DEGRADERS BRAF, NRAS, RAF1 PIK3CD 200/4885HRH3 3223/4885POLB 698/4885
US-20230142883-A1 COMPOUNDS AND USES THEREOF VHL, TFEB, BECN1 PIK3CD 1598/4885HRH3 2014/4885POLB 86/4885
US-11767330-B2 Citrate salt, pharmaceutical compositions, and methods of making and using the same CS, SMARCC2, SMARCC1 PIK3CD 37/4885HRH3 2752/4885POLB 589/4885
US-20230065463-A1 COMPOUNDS AND USES THEREOF VHL, TFEB, BECN1 PIK3CD 1598/4885HRH3 2014/4885POLB 86/4885
US-11560381-B1 Compounds and uses thereof VHL, TFEB, BECN1 PIK3CD 1598/4885HRH3 2014/4885POLB 86/4885
US-20230312587-A1 PTERIDINONE COMPOUNDS AND USES THEREOF DPYD, PKD1, TYMP PIK3CD 1645/4885HRH3 3154/4885POLB 300/4885
US-20240067642-A1 COMPOUNDS AND USES THEREOF VHL, TFEB, BECN1 PIK3CD 1598/4885HRH3 2014/4885POLB 86/4885

“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.