SCHEMBL18993246

SCHEMBL18993246

CCc1nn(C(C)C)c2ccccc12

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MPO P05164 3/20 0.45
POLB P06746 1/20 0.44
ALDH1A1 P00352 2/20 0.41
MAPK1 P28482 2/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
HTR4 Q13639 10/20 0.40
ALOX15 P16050 1/20 0.40
KMT2A Q03164 1/20 0.39
KDM4E B2RXH2 1/20 0.38
LMNA P02545 1/20 0.38
HPGD P15428 1/20 0.38
HSD17B10 Q99714 1/20 0.38
PDE4A P27815 1/20 0.38
PDE4B Q07343 1/20 0.38
PDE4C Q08493 1/20 0.38
PDE4D Q08499 1/20 0.38
PDE3B Q13370 1/20 0.38
PDE3A Q14432 1/20 0.38
ATM Q13315 1/20 0.37

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
SCHEMBL6112453 0.84 POLB (0.47) MPOPOLBHTR4KMT2A
SCHEMBL22368590 0.80 JAK1 (0.35) MPOPOLBALDH1A1MAPK1L3MBTL1
SCHEMBL705011 0.77 NLRP3 (0.47) MPOPOLB
SCHEMBL23467048 0.77 NLRP3 (0.40) MPOPOLBALDH1A1KMT2ALMNA
SCHEMBL20117050 0.77 POLB (0.41) MPOPOLBHTR4KMT2APDE4A
SCHEMBL22276467 0.76 MPO (0.45) MPOALDH1A1MAPK1HTR4KMT2A
SCHEMBL31495822 0.76 SMN1; SMN2 (0.49) MPOPOLBALDH1A1MAPK1HTR4
SCHEMBL13174590 0.76 SMN1; SMN2 (0.49) MPOPOLBALDH1A1MAPK1HTR4
SCHEMBL5009531 0.76 L3MBTL1 (0.45) POLBALDH1A1MAPK1L3MBTL1ALOX15
SCHEMBL20927195 0.75 MPO (0.42) MPOPOLBALDH1A1MAPK1L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2022235715-A1 COMPOUNDS FOR INHIBITING OR DEGRADING ITK, COMPOSITIONS, COMPRISING THE SAME METHODS OF THEIR MAKING AND METHODS OF THEIR USE NURIX THERAPEUTICS, INC. (US) 2022-11-10 WO disclosed
US-20210395262-A1 INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION VIIV Healthcare UK (No.5) Limited (GB) 2021-12-23 US disclosed
US-9682977-B2 Bicyclic heteroaryl indole analogues useful as ROR gamma modulators GLENMARK PHARMACEUTICALS S.A. (CH) 2017-06-20 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 (1 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-20210395262-A1 INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION EIF2AK2, REV1, POLR2E MPO 3013/4885POLB 27/4885ALDH1A1 2628/4885

“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.