SCHEMBL31345201

SCHEMBL31345201

CC(C)c1nccc2ccncc12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CLK1 P49759 1/20 0.41
DYRK1A Q13627 1/20 0.41
HTR2A P28223 1/20 0.40
HTR2C P28335 1/20 0.40
HTR2B P41595 1/20 0.40
LMNA P02545 1/20 0.40
CYP2A6 P11509 1/20 0.39
KDM4E B2RXH2 2/20 0.38
HTT P42858 2/20 0.38
TNF P01375 1/20 0.38
POLB P06746 1/20 0.38
RAD52 P43351 1/20 0.38
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
MAOA P21397 2/20 0.36
MAPK10 P53779 3/20 0.36
F12 P00748 1/20 0.35
PLAU P00749 1/20 0.35
NCF1 P14598 1/20 0.35
NOS3 P29474 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
SCHEMBL7713829 1.00 CLK1 (0.41) CLK1DYRK1AHTR2AHTR2CHTR2B
SCHEMBL14134266 0.86 LMNA (0.40) HTR2AHTR2CHTR2BLMNACYP2A6
SCHEMBL22035513 0.85 CLK1 (0.39) CLK1DYRK1AHTR2AHTR2CHTR2B
SCHEMBL1102399 0.79 LMNA (0.59) LMNACYP2A6NPC1RAB9AF12
SCHEMBL31732807 0.79 LMNA (0.59) LMNACYP2A6NPC1RAB9AF12
Iodide SCHEMBL10722209 0.78 LMNA (0.58) LMNACYP2A6NPC1RAB9AF12
SCHEMBL18237726 0.77 HTR2A (0.38) CLK1DYRK1AHTR2AHTR2CHTR2B
SCHEMBL10058353 0.76 ACHE (0.33) LMNACYP2A6NPC1RAB9A
SCHEMBL19297138 0.74 RPS6KA3 (0.35) DYRK1ALMNAKDM4EHTTPOLB
SCHEMBL19297137 0.74 RPS6KA3 (0.35) DYRK1ALMNAKDM4EHTTPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240382483-A1 HETEROCYCLIC EGFR INHIBITORS FOR USE IN THE TREATMENT OF CANCER BLUEPRINT MEDICINES CORPORATION 2024-11-21 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-20240382483-A1 HETEROCYCLIC EGFR INHIBITORS FOR USE IN THE TREATMENT OF CANCER EGFR, ERBB2, ERBB4 CLK1 2732/4885DYRK1A 1089/4885HTR2A 3717/4885

“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.