SCHEMBL21518151

SCHEMBL21518151

CC(C)(OCc1ccccc1O[PH](=O)Cl)n1cnc2c(N)ncnc21

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PI4KA P42356 10/20 0.45
PI4K2B Q8TCG2 10/20 0.45
PI4K2A Q9BTU6 10/20 0.45
PI4KB Q9UBF8 10/20 0.45
LMNA P02545 1/20 0.42
HPGD P15428 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
ADORA2A P29274 2/20 0.38
ADORA1 P30542 2/20 0.37
EGFR P00533 3/20 0.36
PIK3CD O00329 1/20 0.35
NSD3 Q9BZ95 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
SCHEMBL30451773 0.81 PI4KA (0.42) PI4KAPI4K2BPI4K2API4KBLMNA
SCHEMBL28484184 0.74 PI4KA (0.42) PI4KAPI4K2BPI4K2API4KBSMN1; SMN2
SCHEMBL21518150 0.70 PI4KA (0.46) PI4KAPI4K2BPI4K2API4KBLMNA
SCHEMBL21518153 0.70 PI4KA (0.46) PI4KAPI4K2BPI4K2API4KBLMNA
SCHEMBL29641197 0.70 PI4KA (0.46) PI4KAPI4K2BPI4K2API4KBLMNA
SCHEMBL21590119 0.69 PI4KA (0.48) PI4KAPI4K2BPI4K2API4KBLMNA
SCHEMBL2449991 0.69 PI4KA (0.56) PI4KAPI4K2BPI4K2API4KBSMN1; SMN2
SCHEMBL28484182 0.69 PI4KA (0.44) PI4KAPI4K2BPI4K2API4KBLMNA
SCHEMBL28921930 0.68 CYP3A4 (0.57) LMNAHPGDSMN1; SMN2ADORA2AADORA1
SCHEMBL30451824 0.67 PI4KA (0.43) PI4KAPI4K2BPI4K2API4KBLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210179647-A1 PHOSPHONAMIDE ESTER COMPOUND, SALT THEREOF, RELATED CRYSTAL FORM THEREOF, PREPARATION METHOD THEREFOR AND USE THEREOF SICHUAN KELUN-BIOTECH BIOPHARMACEUTICAL CO., LTD. (CN) 2021-06-17 US claimed
EP-3808752-A1 PHOSPHONAMIDE ESTER COMPOUND, SALT THEREOF, RELATED CRYSTAL FORM THEREOF, PREPARATION METHOD THEREFOR AND USE THEREOF Sichuan Kelun-Biotech Biopharmaceutical Co., Ltd. (CN) 2021-04-21 EP claimed
US-11186599-B2 Phosphonamide ester compound, salt thereof, related crystal form thereof, preparation method therefor and use thereof SICHUAN KELUN-BIOTECH BIOPHARMACEUTICAL CO., LTD. (CN) 2021-11-30 US disclosed
US-20210179647-A1 PHOSPHONAMIDE ESTER COMPOUND, SALT THEREOF, RELATED CRYSTAL FORM THEREOF, PREPARATION METHOD THEREFOR AND USE THEREOF SICHUAN KELUN-BIOTECH BIOPHARMACEUTICAL CO., LTD. (CN) 2021-06-17 US disclosed
EP-3808752-A1 PHOSPHONAMIDE ESTER COMPOUND, SALT THEREOF, RELATED CRYSTAL FORM THEREOF, PREPARATION METHOD THEREFOR AND USE THEREOF Sichuan Kelun-Biotech Biopharmaceutical Co., Ltd. (CN) 2021-04-21 EP disclosed
US-10899786-B2 Nucleoside phosphate compound and preparation method and use thereof SICHUAN KELUN-BIOTECH BIOPHARMACEUTICAL CO., LTD. (CN) 2021-01-26 US disclosed
US-20200308214-A1 NUCLEOSIDE PHOSPHATE COMPOUND AND PREPARATION METHOD AND USE THEREOF SICHUAN KELUN-BIOTECH BIOPHARMACEUTICAL CO., LTD. (CN) 2020-10-01 US disclosed
EP-3560943-A1 NUCLEOSIDE PHOSPHATE COMPOUND AND PREPARATION METHOD AND USE THEREOF Sichuan Kelun-Biotech Biopharmaceutical Co., Ltd. (CN) 2019-10-30 EP 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 (4 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-20200308214-A1 NUCLEOSIDE PHOSPHATE COMPOUND AND PREPARATION METHOD AND USE THEREOF PNP, NTPCR, TYMP PI4KA 742/4885PI4K2B 776/4885PI4K2A 1030/4885
US-10899786-B2 Nucleoside phosphate compound and preparation method and use thereof PNP, NTPCR, TYMP PI4KA 742/4885PI4K2B 776/4885PI4K2A 1030/4885
US-20210179647-A1 PHOSPHONAMIDE ESTER COMPOUND, SALT THEREOF, RELATED CRYSTAL FORM THEREOF, PREPARATION METHOD THEREFOR AND USE THEREOF SLC10A1, PYGL, HASPIN PI4KA 459/4885PI4K2B 647/4885PI4K2A 945/4885
US-11186599-B2 Phosphonamide ester compound, salt thereof, related crystal form thereof, preparation method therefor and use thereof SLC10A1, PYGL, HASPIN PI4KA 459/4885PI4K2B 647/4885PI4K2A 945/4885

“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.