SCHEMBL22604243

SCHEMBL22604243

CCCCCCC(CCCC)Cc1ccccc1Br

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRSS1 P07477 1/20 0.39
PRSS2 P07478 1/20 0.39
PRSS3 P35030 1/20 0.39
CSNK1E P49674 1/20 0.39
RECQL P46063 1/20 0.38
LIPG Q9Y5X9 1/20 0.38
HDAC3 O15379 2/20 0.37
HDAC1 Q13547 2/20 0.37
HDAC2 Q92769 2/20 0.37
HDAC8 Q9BY41 2/20 0.37
HDAC6 Q9UBN7 2/20 0.37
HDAC4 P56524 1/20 0.37
HDAC7 Q8WUI4 1/20 0.37
HDAC10 Q969S8 1/20 0.37
HDAC11 Q96DB2 1/20 0.37
HDAC9 Q9UKV0 1/20 0.37
HDAC5 Q9UQL6 1/20 0.37
LMNA P02545 1/20 0.37
TSHR P16473 2/20 0.37
TAAR1 Q96RJ0 3/20 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
SCHEMBL22856971 0.98 PRSS1 (0.40) PRSS1PRSS2PRSS3CSNK1ERECQL
SCHEMBL18896294 0.81 TSHR (0.38) CSNK1ERECQLLIPGLMNATSHR
SCHEMBL3798456 0.80 PRSS1 (0.41) PRSS1PRSS2PRSS3CSNK1ELIPG
SCHEMBL11665733 0.80 TSHR (0.44) PRSS1PRSS2PRSS3CSNK1ELIPG
SCHEMBL27985286 0.80 TSHR (0.44) PRSS1PRSS2PRSS3CSNK1ELIPG
SCHEMBL15921076 0.79 LMNA (0.42) PRSS1PRSS2PRSS3CSNK1EHDAC3
SCHEMBL11773673 0.78 TSHR (0.45) PRSS1PRSS2PRSS3CSNK1ELIPG
SCHEMBL13475538 0.78 TSHR (0.45) PRSS1PRSS2PRSS3CSNK1ELIPG
SCHEMBL4557993 0.78 CSNK1E (0.43) PRSS1PRSS2PRSS3CSNK1ELIPG
SCHEMBL28900394 0.75 KDM4E (0.44) HDAC1HDAC8LMNAALDH1A1CYP1A2

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 PRSS1 1872/4885PRSS2 3114/4885PRSS3 2950/4885
US-11331320-B2 Heteroaryl substituted pyrrolo[2,3-b]pyridines and pyrrolo[2,3-b]pyrimidines as Janus kinase inhibitors JAK3, JAK1, JAK2 PRSS1 1872/4885PRSS2 3114/4885PRSS3 2950/4885

“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.