SCHEMBL20052564

SCHEMBL20052564

COc1cc(-c2ccc(C#N)cc2)cc(Cl)n1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 2/20 0.40
CYP11B2 P19099 2/20 0.40
GRM5 P41594 3/20 0.39
KDM4E B2RXH2 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
KIF11 P52732 1/20 0.39
RHEB Q15382 1/20 0.38
MMP3 P08254 1/20 0.38
CYP1A1 P04798 1/20 0.38
CYP1B1 Q16678 1/20 0.38
ALPL P05186 1/20 0.37
F2RL3 Q96RI0 1/20 0.37
HRH4 Q9H3N8 1/20 0.37
RECQL P46063 1/20 0.37
GAA P10253 1/20 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
SCHEMBL18123834 0.83 MMP3 (0.48) CYP11B2KIF11RHEBMMP3HRH4
SCHEMBL6466819 0.81 HRH4 (0.52) CYP11B1CYP11B2CYP2C9CYP2C19KIF11
SCHEMBL11296944 0.80 GRM5 (0.51) GRM5KDM4ERECQL
SCHEMBL4718621 0.75 KIF11 (0.42) KDM4EKIF11F2RL3
SCHEMBL18123835 0.74 SQOR (0.38) CYP11B1CYP11B2KDM4ECYP2C9CYP2C19
SCHEMBL1029236 0.74 SLC6A4 (0.58)
SCHEMBL24909701 0.73 TTR (0.44) GRM5RECQL
SCHEMBL18123833 0.70 MAPKAPK2 (0.46) KDM4ECYP2C9CYP2C19CYP1A1CYP1B1
SCHEMBL26901810 0.69 RECQL (0.43) GRM5KDM4ERECQL
SCHEMBL3611983 0.69 MMP3 (0.64) CYP11B2KIF11MMP3

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-20200392143-A1 HETEROCYCLIC COMPOUNDS AS LSD1 INHIBITORS INCYTE CORPORATION 2020-12-17 US disclosed
US-10800779-B2 Heterocyclic compounds as LSD1 inhibitors INCYTE CORPORATION (US) 2020-10-13 US disclosed
US-20190055250-A1 HETEROCYCLIC COMPOUNDS AS LSD1 INHIBITORS INCYTE CORPORATION 2019-02-21 US disclosed
US-9944647-B2 Heterocyclic compounds as LSD1 inhibitors INCYTE CORPORATION (US) 2018-04-17 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-20200392143-A1 HETEROCYCLIC COMPOUNDS AS LSD1 INHIBITORS KDM1B, KDM1A, DOT1L CYP11B1 445/4885CYP11B2 537/4885GRM5 1716/4885
US-20190055250-A1 HETEROCYCLIC COMPOUNDS AS LSD1 INHIBITORS KDM1B, KDM1A, DOT1L CYP11B1 445/4885CYP11B2 537/4885GRM5 1716/4885
US-10800779-B2 Heterocyclic compounds as LSD1 inhibitors KDM1B, KDM1A, DOT1L CYP11B1 445/4885CYP11B2 537/4885GRM5 1716/4885

“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.