SCHEMBL21481785

SCHEMBL21481785

O=C(NC1CCC(C(=O)O)CC1)c1ccc(Cl)c2cn[nH]c12

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PAK1 Q13153 3/20 0.45
▸ CDK2 P24941 3/20 0.44
▸ CCNA1 P78396 2/20 0.44
▸ P2RX7 Q99572 1/20 0.44
▸ HPGD P15428 2/20 0.42
▸ DGAT1 O75907 1/20 0.41
▸ CDK4 P11802 2/20 0.40
▸ CDK5 Q00535 2/20 0.40
▸ CASK O14936 1/20 0.40
▸ CCNT1 O60563 1/20 0.40
▸ CDKL5 O76039 1/20 0.40
▸ CDK14 O94921 1/20 0.40
▸ CCNB2 O95067 1/20 0.40
▸ CDK1 P06493 1/20 0.40
▸ CCNB1 P14635 1/20 0.40
▸ CCNA2 P20248 1/20 0.40
▸ MAK P20794 1/20 0.40
▸ CDK11B P21127 1/20 0.40
▸ CCND1 P24385 1/20 0.40
▸ CCNE1 P24864 1/20 0.40

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
SCHEMBL21506248 0.88 PAK1 (0.43) PAK1CDK2CCNA1P2RX7HPGD
SCHEMBL21481904 0.81 P2RX7 (0.46) P2RX7HPGDDGAT1CDK5CCNT1
SCHEMBL24991888 0.81 P2RX7 (0.46) P2RX7HPGDDGAT1CDK5CCNT1
SCHEMBL23185459 0.79 PLK4 (0.50) PAK1CDK2CCNA1P2RX7DGAT1
SCHEMBL21481807 0.78 CRHR1 (0.41) PAK1CRHR1
SCHEMBL21481921 0.76 CD38 (0.39) PAK1CDK2CCNA1DGAT1CCNA2
SCHEMBL21506745 0.76 TNF (0.38) PAK1CDK2CCNA1CDK4CDK5
SCHEMBL22927040 0.76 FSCN1 (0.36) CDK5CLK4DYRK1BRAB9ANPC1
SCHEMBL16382713 0.74 CSNK2A2 (0.41) CDK5CLK4DYRK1B
SCHEMBL21506720 0.71 DRD4 (0.42) P2RX7CRHR1HSD11B1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10968201-B2 Bicyclic carboxamides and methods of use thereof TEMPEST THERAPEUTICS, INC. (US) 2021-04-06 — — US disclosed
US-20190315712-A1 BICYCLIC CARBOXAMIDES AND METHODS OF USE THEREOF TEMPEST THERAPEUTICS, INC. 2019-10-17 — — 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-10968201-B2 Bicyclic carboxamides and methods of use thereof PTGER4, PTGER2, CNR2 PAK1 1555/4885CDK2 394/4885CCNA1 2465/4885
US-20190315712-A1 BICYCLIC CARBOXAMIDES AND METHODS OF USE THEREOF PTGER4, PTGER2, CNR2 PAK1 1555/4885CDK2 394/4885CCNA1 2465/4885

“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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