SCHEMBL18622981

SCHEMBL18622981

Cc1cc(C)n(-c2cccc(C#N)c2)n1

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 3/20 0.53
▸ ADORA2A P29274 1/20 0.48
▸ MAPT P10636 4/20 0.47
▸ ALDH1A1 P00352 3/20 0.47
▸ TSHR P16473 1/20 0.47
▸ HTT P42858 1/20 0.47
▸ NOTUM Q6P988 1/20 0.46
▸ SLC34A1 Q06495 2/20 0.46
▸ GRM5 P41594 1/20 0.45
▸ NPSR1 Q6W5P4 1/20 0.45
▸ TDP1 Q9NUW8 1/20 0.45
▸ DRD2 P14416 1/20 0.44
▸ DRD3 P35462 1/20 0.44
▸ FLT3 P36888 1/20 0.44
▸ F10 P00742 1/20 0.43
▸ NSD2 O96028 1/20 0.42

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
SCHEMBL19086932 0.84 MAPT (0.45) KDM4EMAPTALDH1A1TSHRHTT
SCHEMBL3829511 0.84 ALDH1A1 (0.65) KDM4EMAPTALDH1A1TSHRHTT
SCHEMBL3160394 0.84 MAPT (0.45) KDM4EMAPTALDH1A1HTTNPSR1
SCHEMBL23429155 0.83 F10 (0.53) KDM4EADORA2AMAPTALDH1A1TSHR
SCHEMBL7214056 0.82 KDM4E (0.43) KDM4EMAPTALDH1A1TSHRHTT
SCHEMBL27500740 0.82 ALDH1A1 (0.43) KDM4EADORA2AMAPTALDH1A1TSHR
SCHEMBL378335 0.81 SLC34A1 (0.57) KDM4EMAPTALDH1A1SLC34A1NPSR1
SCHEMBL18605130 0.81 ALDH1A1 (0.42) KDM4EADORA2AMAPTALDH1A1TSHR
SCHEMBL31067528 0.81 SCN9A (0.44) KDM4EMAPTALDH1A1TSHRHTT
SCHEMBL18622979 0.81 NOTUM (0.48) KDM4EADORA2AMAPTALDH1A1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11708332-B2 Human plasma kallikrein inhibitors BIOCRYST PHARMACEUTICALS, INC. (US) 2023-07-25 — — US disclosed
US-11708333-B2 Human plasma kallikrein inhibitors BIOCRYST PHARMACEUTICALS, INC. (US) 2023-07-25 — — US disclosed
US-11685721-B2 Human plasma kallikrein inhibitors BIOCRYST PHARMACEUTICALS, INC. (US) 2023-06-27 — — US disclosed
US-20210284638-A1 ALPHAvBETA1 INTEGRIN ANTAGONISTS SAINT LOUIS UNIVERSITY (US) 2021-09-16 — — US disclosed
US-20210284638-A1 ALPHAvBETA1 INTEGRIN ANTAGONISTS SAINT LOUIS UNIVERSITY (US) 2021-09-16 — — US disclosed
US-20170073314-A1 HUMAN PLASMA KALLIKREIN INHIBITORS WILMINGTON TRUST, NATIONAL ASSOCIATION 2017-03-16 — — 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 (5 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-20210284638-A1 ALPHAvBETA1 INTEGRIN ANTAGONISTS ITGB1, ITGAV, ITGA1 KDM4E 2130/4885ADORA2A 705/4885MAPT 4388/4885
US-11708332-B2 Human plasma kallikrein inhibitors KLKB1, KLK5, KLK1 KDM4E 1055/4885ADORA2A 4105/4885MAPT 3007/4885
US-20170073314-A1 HUMAN PLASMA KALLIKREIN INHIBITORS KLKB1, KLK1, KLK5 KDM4E 1757/4885ADORA2A 4318/4885MAPT 2830/4885
US-11708333-B2 Human plasma kallikrein inhibitors KLKB1, KLK1, KLK5 KDM4E 1688/4885ADORA2A 4552/4885MAPT 2685/4885
US-11685721-B2 Human plasma kallikrein inhibitors KLKB1, KLK5, KLK1 KDM4E 954/4885ADORA2A 4290/4885MAPT 2984/4885

“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.

Send feedback