SCHEMBL21979547

SCHEMBL21979547

O=C(O)c1cc[n+]([O-])cc1Cl

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.47
KMT2A Q03164 3/20 0.46
MEN1 O00255 2/20 0.46
TSHR P16473 3/20 0.44
CASP1 P29466 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
LMNA P02545 1/20 0.41
TP53 P04637 1/20 0.39
MYC P01106 1/20 0.35
NR4A1 P22736 1/20 0.35
ACLY P53396 1/20 0.35
ALOX15 P16050 1/20 0.34
CYP1A2 P05177 1/20 0.34
CA1 P00915 2/20 0.34
CA2 P00918 2/20 0.34
AKR1C4 P17516 1/20 0.34
AKR1C3 P42330 1/20 0.34
AKR1C2 P52895 1/20 0.34
AKR1C1 Q04828 1/20 0.34
KDM4E B2RXH2 2/20 0.34

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
SCHEMBL31132874 1.00 ALDH1A1 (0.47) ALDH1A1KMT2AMEN1TSHRCASP1
SCHEMBL8546431 0.84 ALDH1A1 (0.47) ALDH1A1KMT2AMEN1TSHRCASP1
SCHEMBL1015021 0.81 MEN1 (0.50) ALDH1A1KMT2AMEN1SMN1; SMN2LMNA
SCHEMBL1015022 0.81 MEN1 (0.50) ALDH1A1KMT2AMEN1SMN1; SMN2LMNA
SCHEMBL3659496 0.76 MEN1 (0.46) ALDH1A1KMT2AMEN1TSHRLMNA
SCHEMBL14738587 0.76 MEN1 (0.46) ALDH1A1KMT2AMEN1TSHRLMNA
SCHEMBL2021797 0.76 MEN1 (0.46) ALDH1A1KMT2AMEN1LMNAALOX15
SCHEMBL8847188 0.73 MEN1 (0.47) ALDH1A1KMT2AMEN1TSHRCASP1
SCHEMBL4881052 0.72 MEN1 (0.46) ALDH1A1KMT2AMEN1TSHRLMNA
SCHEMBL31132730 0.72 MEN1 (0.42) ALDH1A1KMT2AMEN1CYP1A2AKR1C3

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
US-20220169653-A1 PYRROLOPYRIMIDINE AND PYRROLOPYRIDINE DERIVATIVES GALAPAGOS NV (BE) 2022-06-02 US disclosed
US-11136325-B2 Pyrrolopyrimidine and pyrrolopyridine derivatives GALAPAGOS NV (BE) 2021-10-05 US disclosed
US-20200165259-A1 PYRROLOPYRIMIDINE AND PYRROLOPYRIDINE DERIVATIVES GALAPAGOS NV (BE) 2020-05-28 US disclosed
CN-111094283-A ASK 1-inhibiting pyrrolopyrimidine and pyrrolopyridine derivatives 加拉帕戈斯股份有限公司 2020-05-01 CN 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 (3 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-20200165259-A1 PYRROLOPYRIMIDINE AND PYRROLOPYRIDINE DERIVATIVES IRAK1, PEAK1, MARK1 ALDH1A1 717/4885KMT2A 3318/4885MEN1 2900/4885
US-11136325-B2 Pyrrolopyrimidine and pyrrolopyridine derivatives IRAK1, PEAK1, MARK1 ALDH1A1 717/4885KMT2A 3318/4885MEN1 2900/4885
US-20220169653-A1 PYRROLOPYRIMIDINE AND PYRROLOPYRIDINE DERIVATIVES IRAK1, PEAK1, MARK1 ALDH1A1 717/4885KMT2A 3318/4885MEN1 2900/4885

“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.