SCHEMBL29777782

SCHEMBL29777782

CN(C)C/C=C/C(=O)Nc1ccc(C(=O)[O-])cc1.[Na+]

nearest known ligand 0.47

Known targets — ChEMBL curated mechanism

ABCC8ACEADORA1ADORA2AADORA2BADORA3ALDH5A1ALOX5ALOX5APATP4AATP4BBRAFCA1CA12CA2CA4CYSLTR1DHFRDPEP1EDNRAEDNRBESR2F10FDPSFGF1GABBR1GABBR2GABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQGARTGNRHRGSC1HMGCRIMPDH1IMPDH2KCNJ11LY96NOD2NR3C1NS3NS4ANS5bP2RY1P2RY12P2RY2P2RY4P2RY6PBP2XPDE3APDE3BPDE4APDE4BPDE4CPDE4DPDK1PDK2PDK3PDK4PPARGPPATPTGIRPTGS1PTGS2RAF1RYR1RYR3SCN10ASCN11ASCN1ASCN2ASCN3ASCN4ASCN5ASCN7ASCN8ASCN9ASERPINC1SLC12A1SLC12A3SYKTHRATHRBTLR3TLR4TLR9TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8TYMSVKORC1XDHblablaIMP-1blaOXA-33blaOXA-58blaT-3blaT-4blaT-5blaT-6dacAdacBdacCfolAfolPfolP1ftsIfusAgaggyrAgyrBmecAmrcAmrcBmrdApbp1apbp1bpbp2pbp2apbp2bpbp3pbp4pbpApbpBpbpCpbpFpolponBrplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpoArpoBrpoCrpoZrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO

The experimentally established mechanism targets of None. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PIP4K2A P48426 5/20 0.47
▸ PIP4K2B P78356 5/20 0.47
▸ CDK14 O94921 4/20 0.46
▸ CCNY Q8ND76 4/20 0.46
▸ CDK7 P50613 3/20 0.46
▸ CCNH P51946 2/20 0.46
▸ MNAT1 P51948 2/20 0.46
▸ CCNK O75909 2/20 0.46
▸ CDK12 Q9NYV4 2/20 0.46
▸ EGFR P00533 4/20 0.44
▸ ERBB2 P04626 2/20 0.44
▸ MAPK8 P45983 1/20 0.43
▸ MAPK9 P45984 1/20 0.43
▸ MAPK10 P53779 1/20 0.43
▸ KDR P35968 1/20 0.43
▸ CDK2 P24941 2/20 0.43
▸ CCNA2 P20248 1/20 0.43
▸ CDK9 P50750 1/20 0.43
▸ IRAK1 P51617 1/20 0.42
▸ NR4A1 P22736 1/20 0.42

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
SCHEMBL16665568 0.85 PIP4K2A (0.50) PIP4K2APIP4K2BCDK14CCNYCDK7
SCHEMBL17141876 0.85 PIP4K2A (0.50) PIP4K2APIP4K2BCDK14CCNYCDK7
SCHEMBL18113964 0.84 KDM4E (0.49) PIP4K2APIP4K2BCDK14CCNYCDK7
SCHEMBL23336317 0.84 KDM4E (0.49) PIP4K2APIP4K2BCDK14CCNYCDK7
SCHEMBL16665771 0.84 CDK14 (0.49) PIP4K2APIP4K2BCDK14CCNYCDK7
SCHEMBL18069738 0.83 PIP4K2A (0.53) PIP4K2APIP4K2BCDK14CCNYCDK7
SCHEMBL22895399 0.83 MEN1 (0.58) PIP4K2APIP4K2BCDK14CCNYCDK7
SCHEMBL23292421 0.83 MEN1 (0.58) PIP4K2APIP4K2BCDK14CCNYCDK7
SCHEMBL20764166 0.82 CDK14 (0.47) PIP4K2APIP4K2BCDK14CCNYCDK7
SCHEMBL16665103 0.82 NMT1 (0.58) PIP4K2APIP4K2BCDK14CCNYEGFR

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-11447493-B2 Inhibitors of cyclin-dependent kinases KINNATE BIOPHARMA INC. 2022-09-20 — — US disclosed
US-11390618-B2 Inhibitors of cyclin-dependent kinases KINNATE BIOPHARMA INC. (US) 2022-07-19 — — 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-11447493-B2 Inhibitors of cyclin-dependent kinases CDK2, CCNK, CDK1 PIP4K2A 460/4885PIP4K2B 422/4885CDK14 26/4885
US-11390618-B2 Inhibitors of cyclin-dependent kinases CDK2, CCNK, CDK1 PIP4K2A 460/4885PIP4K2B 422/4885CDK14 26/4885

“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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