SCHEMBL16199664

SCHEMBL16199664

N#CCCC(=O)N1C[C@H]2CCC[C@H]2C1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 1/20 0.39
JAK1 P23458 1/20 0.39
HSD11B1 P28845 3/20 0.39
DPP4 P27487 2/20 0.34
CHRNB2 P17787 2/20 0.33
CHRNA3 P32297 2/20 0.33
CHRNA4 P43681 2/20 0.33
CHRNB4 P30926 1/20 0.33
CHRNA7 P36544 1/20 0.33
CHRNB3 Q05901 1/20 0.33
CHRNA6 Q15825 1/20 0.33
MAPT P10636 2/20 0.32
MEN1 O00255 1/20 0.32
POLB P06746 1/20 0.32
KMT2A Q03164 1/20 0.32
ATM Q13315 1/20 0.31
CTSL P07711 1/20 0.31
CTSB P07858 1/20 0.31
CTSK P43235 1/20 0.31
PRMT3 O60678 1/20 0.31

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
SCHEMBL20343397 1.00 JAK2 (0.39) JAK2JAK1HSD11B1DPP4CHRNB2
SCHEMBL20343430 0.85 JAK1 (0.46) JAK2JAK1HSD11B1DPP4CHRNB2
SCHEMBL20343418 0.81 HSD11B1 (0.41) JAK2JAK1HSD11B1DPP4CHRNB2
SCHEMBL15077584 0.78 HSD11B1 (0.46) JAK2JAK1HSD11B1DPP4CHRNB2
SCHEMBL20343504 0.77 HSD11B1 (0.44) HSD11B1DPP4CHRNB2CHRNA3CHRNA4
SCHEMBL20343448 0.76 CHRNB2 (0.56) HSD11B1CHRNB2CHRNA3CHRNA4CHRNB4
SCHEMBL22436128 0.75 ATM (0.58) MAPTMEN1KMT2AATMNPC1
SCHEMBL20343499 0.72 HSD11B1 (0.47) JAK2JAK1HSD11B1DPP4CHRNB2
SCHEMBL20343378 0.72 HSD11B1 (0.47) JAK2JAK1HSD11B1DPP4CHRNB2
SCHEMBL4436959 0.71 ALDH1A1 (0.52) JAK2HSD11B1CHRNB2CHRNA3CHRNA4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10428074-B2 Pyrrole heteroaryl ring derivative and method of use thereof JIANGSU HENGRUI MEDICINE CO., LTD. (CN) 2019-10-01 US disclosed
US-20180222912-A1 PYRROLE HETEROARYL RING DERIVATIVE AND METHOD OF USE THEREOF JIANGSU HENGRUI MEDICINE CO., LTD. (CN) 2018-08-09 US disclosed
EP-2796460-B1 PYRROLE SIX-MEMBERED HETEROARYL RING DERIVATIVE, PREPARATION METHOD THEREFOR, AND MEDICINAL USES THEREOF JIANGSU HENGRUI MEDICINE CO (CN) 2018-07-04 EP disclosed
EP-2796460-A1 PYRROLE SIX-MEMBERED HETEROARYL RING DERIVATIVE, PREPARATION METHOD THEREFOR, AND MEDICINAL USES THEREOF Jiangsu Hengrui Medicine Co. Ltd. (CN) 2014-10-29 EP 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-20180222912-A1 PYRROLE HETEROARYL RING DERIVATIVE AND METHOD OF USE THEREOF DHFR, PPOX, PAH JAK2 243/4885JAK1 1695/4885HSD11B1 401/4885
US-10428074-B2 Pyrrole heteroaryl ring derivative and method of use thereof DHFR, PPOX, PAH JAK2 243/4885JAK1 1695/4885HSD11B1 401/4885

“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.