SCHEMBL16632983

SCHEMBL16632983

Cc1ncc(C(=O)c2cnc(C)n2C)n1C

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 2/20 0.38
ALDH1A1 P00352 2/20 0.38
LMNA P02545 2/20 0.38
HTT P42858 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
GSK3B P49841 3/20 0.36
DYRK1A Q13627 3/20 0.36
THRB P10828 1/20 0.33
TSHR P16473 1/20 0.33
MAPK1 P28482 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
HRH3 Q9Y5N1 10/20 0.33
WNT1 P04628 1/20 0.31
GLA P06280 1/20 0.31
NPC1 O15118 1/20 0.31
RAB9A P51151 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
SCHEMBL16632855 0.86 ALOX15 (0.36) ALOX15ALDH1A1LMNAHTTNPSR1
SCHEMBL7996974 0.84 KMT2A (0.38) ALDH1A1LMNAGSK3BDYRK1ATHRB
SCHEMBL1204351 0.84 ALDH1A1 (0.36) ALOX15ALDH1A1LMNAHTTNPSR1
SCHEMBL14823456 0.83 CYP1A2 (0.40) LMNAGSK3BDYRK1AGLA
SCHEMBL16460607 0.80 NPC1 (0.55) ALOX15ALDH1A1LMNAHTTNPSR1
SCHEMBL25457958 0.79 LMNA (0.35) ALOX15ALDH1A1LMNANPSR1GSK3B
SCHEMBL10579577 0.79 SMN1; SMN2 (0.52) ALDH1A1GSK3BDYRK1AMAPK1SMN1; SMN2
SCHEMBL19797906 0.75 TP53 (0.40) ALDH1A1GSK3BDYRK1ASMN1; SMN2
SCHEMBL25310849 0.73 HSD17B3 (0.40) ALDH1A1HTT
SCHEMBL16651748 0.73 VNN1 (0.45) ALOX15ALDH1A1LMNANPSR1SMN1; SMN2

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
EP-3057951-B1 METHYLENE LINKED QUINOLINYL MODULATORS OF ROR-GAMMA-T JANSSEN PHARMACEUTICA NV (BE) 2019-11-20 EP disclosed
US-9284308-B2 Methylene linked quinolinyl modulators of RORγt JANSSEN PHARMACEUTICA NV 2016-03-15 US disclosed
US-9284308-B2 Methylene linked quinolinyl modulators of RORγt JANSSEN PHARMACEUTICA NV 2016-03-15 US disclosed
US-20150105366-A1 METHYLENE LINKED QUINOLINYL MODULATORS OF RORyt JANSSEN PHARMACEUTICA NV (BE) 2015-04-16 US disclosed
US-20150105366-A1 METHYLENE LINKED QUINOLINYL MODULATORS OF RORyt JANSSEN PHARMACEUTICA NV (BE) 2015-04-16 US disclosed
US-20150105366-A1 METHYLENE LINKED QUINOLINYL MODULATORS OF RORyt JANSSEN PHARMACEUTICA NV (BE) 2015-04-16 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 (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-20150105366-A1 METHYLENE LINKED QUINOLINYL MODULATORS OF RORyt RORC, RORA, RORB ALOX15 2677/4885ALDH1A1 1026/4885LMNA 3340/4885

“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.