SCHEMBL16610951

SCHEMBL16610951

Fc1ccc(C2CCCN2c2cnc(Br)c(Cl)n2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR3C2 P08235 1/20 0.40
JAK2 O60674 2/20 0.39
JAK3 P52333 1/20 0.39
TRPA1 O75762 2/20 0.38
PDE2A O00408 2/20 0.37
RET P07949 2/20 0.37
NTRK1 P04629 3/20 0.36
ALDH1A1 P00352 2/20 0.36
HDAC8 Q9BY41 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
LMNA P02545 2/20 0.36
TSHR P16473 1/20 0.36
PTBP1 P26599 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
KDM4E B2RXH2 1/20 0.35
MEN1 O00255 1/20 0.35
MAPT P10636 1/20 0.35
KMT2A Q03164 1/20 0.35
CCNC P24863 1/20 0.35

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
SCHEMBL16611213 0.88 CYP19A1 (0.37) JAK3PDE2AHDAC8HDAC6MEN1
SCHEMBL16754706 0.88 CYP19A1 (0.37) JAK3PDE2AHDAC8HDAC6MEN1
SCHEMBL16610744 0.75 CYP19A1 (0.39) JAK2PDE2ANTRK1HDAC8HDAC6
SCHEMBL16610738 0.74 KDM4E (0.37) PDE2AALDH1A1HDAC8HDAC6KDM4E
SCHEMBL16610753 0.74 KDM4E (0.36) NR3C2JAK2JAK3TRPA1PDE2A
SCHEMBL20576681 0.73 JAK2 (0.53) NR3C2JAK2JAK3TRPA1RET
SCHEMBL28004260 0.73 ALDH1A1 (0.51) NR3C2JAK2JAK3TRPA1RET
SCHEMBL22327994 0.72 JAK2 (0.44) NR3C2JAK2JAK3TRPA1NTRK1
SCHEMBL28003806 0.71 PDE2A (0.35) JAK2JAK3PDE2ANTRK1HDAC8
SCHEMBL27828772 0.69 TSHR (0.58) NR3C2TRPA1ALDH1A1LMNATSHR

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-20170143722-A1 SUBSTITUTED PYRROLIDINES AS ROS TYROSINE KINASE INHIBITORS NIPPON SHINYAKU CO., LTD. (JP) 2017-05-25 US disclosed
US-9580413-B2 Substituted pyrrolidines as ROS tyrosine kinase inhibitors NIPPON SHINYAKU CO., LTD. (JP) 2017-02-28 US disclosed
US-20150152095-A1 AROMATIC HETEROCYCLIC DERIVATIVE AND PHARMACEUTICAL NIPPON SHINYAKU CO., LTD. (JP) 2015-06-04 US disclosed
EP-2857398-A1 AROMATIC HETEROCYCLIC DERIVATIVE AND PHARMACEUTICAL Nippon Shinyaku Co., Ltd. (JP) 2015-04-08 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-20150152095-A1 AROMATIC HETEROCYCLIC DERIVATIVE AND PHARMACEUTICAL HRH4, CYP3A4, CYP3A5 NR3C2 53/4885JAK2 567/4885JAK3 399/4885
US-20170143722-A1 SUBSTITUTED PYRROLIDINES AS ROS TYROSINE KINASE INHIBITORS ROS1, NOX4, NOX3 NR3C2 655/4885JAK2 11/4885JAK3 24/4885

“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.