SCHEMBL21514031

SCHEMBL21514031

C#Cc1ccc(C(=O)c2ccc(C)cc2)cc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.67
LMNA P02545 3/20 0.67
SRD5A2 P31213 2/20 0.57
CES2 O00748 2/20 0.48
CES1 P23141 2/20 0.48
SMN1; SMN2 Q16637 3/20 0.46
AKR1C3 P42330 1/20 0.44
TDP1 Q9NUW8 3/20 0.44
HTT P42858 3/20 0.43
PKM P14618 2/20 0.43
ATM Q13315 2/20 0.43
NPSR1 Q6W5P4 2/20 0.43
HPGD P15428 1/20 0.43
NLRP1 Q9C000 1/20 0.43
GAA P10253 1/20 0.43
MEN1 O00255 1/20 0.43
NTSR1 P30989 1/20 0.43
KMT2A Q03164 1/20 0.43
RAB9A P51151 1/20 0.43
CNR1 P21554 1/20 0.42

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
SCHEMBL3838955 0.89 SRD5A2 (0.48) ALDH1A1LMNASRD5A2HTTPKM
SCHEMBL6368815 0.83 ALDH1A1 (0.73) ALDH1A1LMNASRD5A2CES2CES1
SCHEMBL14596909 0.83 ALDH1A1 (0.73) ALDH1A1LMNASRD5A2CES2CES1
SCHEMBL28573777 0.83 ALDH1A1 (0.73) ALDH1A1LMNASRD5A2CES2CES1
SCHEMBL121302 0.82
SCHEMBL52200 0.82 ALDH1A1 (1.00) ALDH1A1LMNASRD5A2CES2CES1
SCHEMBL822185 0.82 ALDH1A1 (1.00) ALDH1A1LMNASRD5A2CES2CES1
SCHEMBL739782 0.81 ALDH1A1 (0.61) ALDH1A1LMNASRD5A2CES2CES1
SCHEMBL11408543 0.81 LMNA (0.65) LMNASRD5A2CES2SMN1; SMN2TDP1
SCHEMBL7628747 0.79 ALDH1A1 (0.46) ALDH1A1LMNASRD5A2SMN1; SMN2AKR1C3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210206768-A1 IMIDAZOPYRROLOPYRIDINE AS INHIBITORS OF THE JAK FAMILY OF KINASES JANSSEN PHARMACEUTICA NV (BE) 2021-07-08 US disclosed
US-10981911-B2 Imidazopyrrolopyridine as inhibitors of the JAK family of kinases JANSSEN PHARMACEUTICA NV (BE) 2021-04-20 US disclosed
US-20190322665-A1 IMIDAZOPYRROLOPYRIDINE AS INHIBITORS OF THE JAK FAMILY OF KINASES JANSSEN PHARMACEUTICA NV (BE) 2019-10-24 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 (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-20210206768-A1 IMIDAZOPYRROLOPYRIDINE AS INHIBITORS OF THE JAK FAMILY OF KINASES JAK1, JAK2, JAK3 ALDH1A1 2835/4885LMNA 4330/4885SRD5A2 4313/4885
US-10981911-B2 Imidazopyrrolopyridine as inhibitors of the JAK family of kinases JAK1, JAK2, JAK3 ALDH1A1 2835/4885LMNA 4330/4885SRD5A2 4313/4885
US-20190322665-A1 IMIDAZOPYRROLOPYRIDINE AS INHIBITORS OF THE JAK FAMILY OF KINASES JAK1, JAK2, JAK3 ALDH1A1 2835/4885LMNA 4330/4885SRD5A2 4313/4885

“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.