SCHEMBL22604271

SCHEMBL22604271

CCCC(CC)C(Cn1cncn1)c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.43
MEN1 O00255 3/20 0.43
ALDH1A1 P00352 2/20 0.43
CYP19A1 P11511 5/20 0.42
IDH1 O75874 1/20 0.40
NPSR1 Q6W5P4 2/20 0.39
LMNA P02545 1/20 0.39
HTT P42858 1/20 0.39
HSP90AA1 P07900 1/20 0.38
PTGS2 P35354 1/20 0.37
CYP26A1 O43174 2/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C8 P10632 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP26B1 Q9NR63 1/20 0.36

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
SCHEMBL18896358 0.82 KMT2A (0.48) KMT2AMEN1ALDH1A1CYP19A1IDH1
SCHEMBL14518240 0.80 KMT2A (0.51) KMT2AMEN1ALDH1A1CYP19A1IDH1
SCHEMBL12251287 0.80 KMT2A (0.51) KMT2AMEN1ALDH1A1CYP19A1IDH1
SCHEMBL20963179 0.77 CYP19A1 (0.49) KMT2AMEN1ALDH1A1CYP19A1IDH1
SCHEMBL11001193 0.76 CYP19A1 (0.56) KMT2AMEN1ALDH1A1CYP19A1LMNA
SCHEMBL10959984 0.74 CYP19A1 (0.56) KMT2AMEN1ALDH1A1CYP19A1IDH1
SCHEMBL12309934 0.73 KMT2A (0.54) KMT2AMEN1ALDH1A1CYP19A1IDH1
SCHEMBL9482419 0.73 KMT2A (0.42) KMT2AMEN1ALDH1A1CYP19A1IDH1
Hydrochloric Acid SCHEMBL9481865 0.72 KMT2A (0.41) KMT2AMEN1ALDH1A1CYP19A1IDH1
SCHEMBL28770476 0.71 CYP19A1 (0.52) KMT2AMEN1ALDH1A1CYP19A1LMNA

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-11331320-B2 Heteroaryl substituted pyrrolo[2,3-b]pyridines and pyrrolo[2,3-b]pyrimidines as Janus kinase inhibitors INCYTE HOLDINGS CORPORATION (US) 2022-05-17 US disclosed
US-20200338077-A1 HETEROARYL SUBSTITUTED PYRROLO[2,3-b]PYRIDINES AND PYRROLO[2,3-b]PYRIMIDINES AS JANUS KINASE INHIBITORS INCYTE CORPORATION 2020-10-29 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-20200338077-A1 HETEROARYL SUBSTITUTED PYRROLO[2,3-b]PYRIDINES AND PYRROLO[2,3-b]PYRIMIDINES AS JANUS KINASE INHIBITORS JAK3, JAK1, JAK2 KMT2A 780/4885MEN1 3406/4885ALDH1A1 3413/4885
US-11331320-B2 Heteroaryl substituted pyrrolo[2,3-b]pyridines and pyrrolo[2,3-b]pyrimidines as Janus kinase inhibitors JAK3, JAK1, JAK2 KMT2A 780/4885MEN1 3406/4885ALDH1A1 3413/4885

“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.