SCHEMBL22346451

SCHEMBL22346451

CS(=O)(=O)c1ccnc(C(=O)[O-])c1.[Na+]

nearest known ligand 0.40

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
LMNA P02545 1/20 0.40
PIK3C3 Q8NEB9 1/20 0.39
ENPP2 Q13822 2/20 0.38
ALKBH2 Q6NS38 1/20 0.37
ALKBH5 Q6P6C2 1/20 0.37
ALKBH3 Q96Q83 1/20 0.37
FTO Q9C0B1 1/20 0.37
RIPK2 O43353 1/20 0.36
RET P07949 1/20 0.36
KDR P35968 1/20 0.36
MAPK14 Q16539 1/20 0.36
PKMYT1 Q99640 1/20 0.36
KDM5A P29375 1/20 0.36
KDM4C Q9H3R0 1/20 0.36
KDM5B Q9UGL1 1/20 0.36
AKR1C3 P42330 2/20 0.36
AKR1C2 P52895 2/20 0.36
NPC1 O15118 1/20 0.36
PTGDR2 Q9Y5Y4 1/20 0.35
G6PD P11413 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
SCHEMBL5700255 0.82 ALDH1A1 (0.46) LMNAPIK3C3ENPP2ALKBH2ALKBH5
SCHEMBL30525023 0.82 KDM4E (0.53) LMNAPIK3C3ENPP2ALKBH2ALKBH5
SCHEMBL20790368 0.82 KDM4E (0.53) LMNAPIK3C3ENPP2ALKBH2ALKBH5
SCHEMBL30874237 0.81 ADORA3 (0.40) LMNAPIK3C3KDM5AKDM4CKDM5B
SCHEMBL6742155 0.78 ALDH1A1 (0.40) LMNAPIK3C3ALKBH5FTORIPK2
SCHEMBL20791437 0.78 ALDH1A1 (0.50) LMNAPIK3C3KDM4C
SCHEMBL5700227 0.77 HRH4 (0.41) LMNAPIK3C3ENPP2RIPK2RET
Lithium Ion SCHEMBL19065619 0.76 PIK3C3 (0.62) PIK3C3
SCHEMBL6742993 0.76 KMT2A (0.53) ALKBH2ALKBH5FTOKDM5BAKR1C2
SCHEMBL5700236 0.72 MAPT (0.45) ALKBH2ALKBH5FTOPTGDR2SMN1; 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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113453764-B 7H-pyrrolo [2,3-d ] pyrimidin-4-amine derivatives 大鹏药品工业株式会社 2024-04-16 CN disclosed
US-11786534-B2 Substituted pyrrolo[2,3-d]pyrimidines as EGFR inhibitors TAIHO PHARMACEUTICAL CO., LTD. (JP) 2023-10-17 US disclosed
US-20220160719-A1 7H-PYRROLO[2,3-D]PYRIMIDINE-4-AMINE DERIVATIVE TAIHO PHARMACEUTICAL CO., LTD. (JP) 2022-05-26 US disclosed
EP-3925669-A1 7H-PYRROLO[2,3-D]PYRIMIDINE-4-AMINE DERIVATIVE Taiho Pharmaceutical Co., Ltd. (JP) 2021-12-22 EP disclosed
CN-113453764-A 7H-pyrrolo [2,3-d ] pyrimidin-4-amine derivatives 大鹏药品工业株式会社 2021-09-28 CN disclosed
WO-2020166680-A1 7H-PYRROLO[2,3-D]PYRIMIDINE-4-AMINE DERIVATIVE 大鵬薬品工業株式会社 2020-08-20 WO 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-20220160719-A1 7H-PYRROLO[2,3-D]PYRIMIDINE-4-AMINE DERIVATIVE EGFR, ERBB2, ERBB4 LMNA 4881/4885PIK3C3 244/4885ENPP2 3730/4885
US-11786534-B2 Substituted pyrrolo[2,3-d]pyrimidines as EGFR inhibitors EGFR, ERBB2, ERBB3 LMNA 4883/4885PIK3C3 148/4885ENPP2 3395/4885

“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.