SCHEMBL18896262

SCHEMBL18896262

CC(C)C(=O)Nc1ccc(C(=O)I)cc1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.66
NPSR1 Q6W5P4 3/20 0.66
RAB9A P51151 3/20 0.66
HPGD P15428 1/20 0.66
HTT P42858 1/20 0.66
SMN1; SMN2 Q16637 1/20 0.66
MLYCD O95822 1/20 0.64
KMT2A Q03164 6/20 0.59
MEN1 O00255 3/20 0.59
MAPT P10636 2/20 0.59
RXFP1 Q9HBX9 1/20 0.59
CA12 O43570 1/20 0.56
CA1 P00915 1/20 0.56
CA2 P00918 1/20 0.56
CA9 Q16790 1/20 0.56
CYP2C9 P11712 2/20 0.53
CYP1A2 P05177 1/20 0.53
CYP2C19 P33261 1/20 0.53
POLB P06746 1/20 0.53
CYP3A4 P08684 1/20 0.53

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
SCHEMBL18880072 0.87 ALDH1A1 (0.73) ALDH1A1NPSR1RAB9AHPGDHTT
SCHEMBL14254805 0.84 ALDH1A1 (0.66) ALDH1A1NPSR1RAB9AHPGDHTT
SCHEMBL7278525 0.84 ALDH1A1 (0.71) ALDH1A1NPSR1RAB9AHPGDHTT
SCHEMBL22199591 0.84 ALDH1A1 (0.66) ALDH1A1NPSR1RAB9AHPGDHTT
SCHEMBL8691196 0.83 ALDH1A1 (0.63) ALDH1A1NPSR1RAB9AHPGDHTT
SCHEMBL5201567 0.82 ALDH1A1 (0.64) ALDH1A1NPSR1RAB9AHPGDHTT
SCHEMBL3093916 0.82 HSD17B10 (0.66) ALDH1A1NPSR1RAB9AHPGDHTT
SCHEMBL103862 0.82 KMT2A (0.61) ALDH1A1NPSR1RAB9AHPGDHTT
SCHEMBL5227347 0.82 ALDH1A1 (0.61) ALDH1A1NPSR1RAB9AHPGDHTT
SCHEMBL25543872 0.81 ALDH1A1 (0.67) ALDH1A1NPSR1RAB9AHPGDHTT

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-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
US-9662335-B2 Heteroaryl substituted pyrrolo[2,3-B] pyridines and pyrrolo[2,3-B] pyrimidines as janus kinase inhibitors INCYTE HOLDINGS CORPORATION (US) 2017-05-30 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 3413/4885NPSR1 4173/4885RAB9A 2893/4885
US-11331320-B2 Heteroaryl substituted pyrrolo[2,3-b]pyridines and pyrrolo[2,3-b]pyrimidines as Janus kinase inhibitors JAK3, JAK1, JAK2 ALDH1A1 3413/4885NPSR1 4173/4885RAB9A 2893/4885

“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.