SCHEMBL22604452

SCHEMBL22604452

CCC(C)c1ccc([N+](=O)[O-])cc1C

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.55
TDP1 Q9NUW8 4/20 0.55
TSHR P16473 3/20 0.55
CYP3A4 P08684 3/20 0.51
MAPT P10636 7/20 0.42
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
CRHBP P24387 2/20 0.42
CRHR2 Q13324 2/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
NPC1 O15118 1/20 0.42
ACHE P22303 2/20 0.41
HSD17B10 Q99714 1/20 0.41
PKM P14618 1/20 0.40
MAPK1 P28482 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
LMNA P02545 1/20 0.40

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
SCHEMBL21316561 0.87 ALDH1A1 (0.51) ALDH1A1TDP1TSHRCYP3A4MAPT
SCHEMBL19592246 0.85 ALDH1A1 (0.56) ALDH1A1TDP1TSHRCYP3A4MAPT
SCHEMBL16971064 0.83 ALDH1A1 (0.58) ALDH1A1TDP1TSHRCYP3A4MAPT
SCHEMBL12040933 0.82 ALDH1A1 (0.62) ALDH1A1TDP1TSHRCYP3A4MAPT
SCHEMBL1771365 0.82 CYP3A4 (0.53) ALDH1A1TDP1TSHRCYP3A4MAPT
SCHEMBL16979684 0.81 LMNA (0.49) ALDH1A1TDP1TSHRCYP3A4MAPT
SCHEMBL8041378 0.80 SMN1; SMN2 (0.51) ALDH1A1TDP1TSHRMAPTPKM
SCHEMBL10438569 0.80 TDP1 (0.51) ALDH1A1TDP1TSHRCYP3A4LMNA
SCHEMBL16971089 0.79 ALDH1A1 (0.59) ALDH1A1TDP1TSHRCYP3A4MAPT
SCHEMBL18867007 0.79 ALDH1A1 (0.51) ALDH1A1TDP1TSHRCYP3A4MAPT

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 ALDH1A1 3413/4885TDP1 1172/4885TSHR 3192/4885
US-11331320-B2 Heteroaryl substituted pyrrolo[2,3-b]pyridines and pyrrolo[2,3-b]pyrimidines as Janus kinase inhibitors JAK3, JAK1, JAK2 ALDH1A1 3413/4885TDP1 1172/4885TSHR 3192/4885

“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.