SCHEMBL20912911

SCHEMBL20912911

Nc1ccc(C(=O)C(O)(C(=O)O)C(O)(C(=O)O)C(=O)c2ccc(N)cc2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.42
KDM4E B2RXH2 1/20 0.42
HIF1A Q16665 1/20 0.42
SLC22A6 Q4U2R8 1/20 0.42
SLC22A8 Q8TCC7 1/20 0.42
LMNA P02545 2/20 0.42
APEX1 P27695 2/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
POLB P06746 1/20 0.42
PKM P14618 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
PARP10 Q53GL7 1/20 0.41
CYP1B1 Q16678 1/20 0.40
RAB9A P51151 3/20 0.39
NPC1 O15118 2/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
MAOA P21397 1/20 0.39
MASP2 O00187 1/20 0.39

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
Aniline SCHEMBL3167894 0.82 CES2 (0.47) MAPTHIF1ALMNAMEN1KMT2A
SCHEMBL9420249 0.81 LMNA (0.40) MAPTKDM4EHIF1ASLC22A6SLC22A8
Hydroxyamine SCHEMBL11026948 0.79 CES1 (0.54) MAPTKDM4ELMNAMEN1KMT2A
SCHEMBL31097912 0.78 CES1 (0.58) MAPTKDM4ELMNAMEN1KMT2A
SCHEMBL2904552 0.78 CES1 (0.58) MAPTKDM4ELMNAMEN1KMT2A
SCHEMBL637241 0.78 CES1 (0.58) MAPTKDM4ELMNAMEN1KMT2A
SCHEMBL32681153 0.78 CES1 (0.58) MAPTKDM4ELMNAMEN1KMT2A
SCHEMBL414466 0.78 CES1 (0.58) MAPTKDM4ELMNAMEN1KMT2A
SCHEMBL7684 0.78 CES1 (0.58) MAPTKDM4ELMNAMEN1KMT2A
SCHEMBL20912859 0.77 CES2 (0.52) MAPTLMNAMEN1KMT2APOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3473625-B1 PREPARATION METHOD FOR CHIRAL PYRROLOPYRIMIDINE COMPOUND CHIA TAI TIANQING PHARMACEUTICAL GROUP CO LTD (CN) 2021-06-02 EP disclosed
US-10766901-B2 Preparation method for chiral pyrrolopyrimidine compound CHIA TAI TIANQING PHARMACEUTICAL GROUP CO., LTD. (CN) 2020-09-08 US disclosed
US-20190211021-A1 Preparation Method For Chiral Pyrrolopyrimidine Compound CHIA TAI TIANQING PHARMACEUTICAL GROUP CO., LTD. (CN) 2019-07-11 US disclosed
EP-3473625-A1 PREPARATION METHOD FOR CHIRAL PYRROLOPYRIMIDINE COMPOUND Chia Tai Tianqing Pharmaceutical Group Co., Ltd. (CN) 2019-04-24 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 (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-20190211021-A1 Preparation Method For Chiral Pyrrolopyrimidine Compound DHPS, DPYD, MPHOSPH6 MAPT 3431/4885KDM4E 2822/4885HIF1A 3144/4885
US-10766901-B2 Preparation method for chiral pyrrolopyrimidine compound DHPS, DPYD, MPHOSPH6 MAPT 3431/4885KDM4E 2822/4885HIF1A 3144/4885

“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.