SCHEMBL14905764

SCHEMBL14905764

Cn1ncc2ccc(=O)[nH]c21

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PDE3B Q13370 1/20 0.39
PDE3A Q14432 1/20 0.39
HCAR1 Q9BXC0 15/20 0.39
MAPK1 P28482 1/20 0.37
ERCC1 P07992 1/20 0.36
ERCC4 Q92889 1/20 0.36
CRBN Q96SW2 1/20 0.35
CA12 O43570 1/20 0.35
CA1 P00915 1/20 0.35
CA3 P07451 1/20 0.35
CA4 P22748 1/20 0.35
CA6 P23280 1/20 0.35
CA5A P35218 1/20 0.35
CA7 P43166 1/20 0.35
CA9 Q16790 1/20 0.35
CA13 Q8N1Q1 1/20 0.35
CA14 Q9ULX7 1/20 0.35
CA5B Q9Y2D0 1/20 0.35

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
SCHEMBL18237507 0.77 PDE9A (0.36) PDE3BPDE3AHCAR1
SCHEMBL5579309 0.73 HCAR1 (0.36) PDE3BPDE3AHCAR1
SCHEMBL2643791 0.72 HCAR1 (0.48) HCAR1
SCHEMBL19153933 0.69 PDE3B (0.39) PDE3BPDE3AMAPK1ERCC1ERCC4
SCHEMBL28936229 0.68 HSD17B10 (0.59) HCAR1MAPK1
SCHEMBL15730240 0.68 CRBN (0.52) HCAR1CRBNCA12CA1CA3
SCHEMBL15889708 0.68 GRIN2D (0.36) PDE3BPDE3AERCC1ERCC4
SCHEMBL3672553 0.67 HCAR1 (0.58) HCAR1CA12CA9
SCHEMBL1720850 0.67 PDE3B (0.38) PDE3BPDE3AHCAR1
SCHEMBL28535847 0.66 TSHR (0.42)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116635029-A REV-ERB agonists 圣路易斯大学 2023-08-22 CN disclosed
WO-2022093552-A9 REV-ERB AGONISTS Saint Louis Univeristy (US) 2022-06-23 WO disclosed
WO-2022093552-A2 REV-ERB AGONISTS Saint Louis Univeristy (US) 2022-05-05 WO disclosed
US-20170202970-A1 SILICON BASED DRUG CONJUGATES AND METHODS OF USING SAME BLINKBIO, INC. 2017-07-20 US disclosed
US-8435987-B2 Pyrazolo-pyridinone and pyrazolo-pyrazinone compounds as P38 modulators and methods of use thereof AMGEN INC. (US) 2013-05-07 US disclosed
US-20110294805-A1 PYRAZOLO-PYRIDINONE AND PYRAZOLO-PYRAZINONE COMPOUNDS AS P38 MODULATORS AND METHODS OF USE THEREOF AMGEN INC. (US) 2011-12-01 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 (2 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-20170202970-A1 SILICON BASED DRUG CONJUGATES AND METHODS OF USING SAME CD44, MSN, AS3MT PDE3B 4693/4885PDE3A 4572/4885HCAR1 895/4885
US-20110294805-A1 PYRAZOLO-PYRIDINONE AND PYRAZOLO-PYRAZINONE COMPOUNDS AS P38 MODULATORS AND METHODS OF USE THEREOF MAPK1, MAP4K2, MAP3K1 PDE3B 274/4885PDE3A 458/4885HCAR1 1101/4885

“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.