SCHEMBL6168855

SCHEMBL6168855

c1cncc(CCc2c[nH]c3ccccc23)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.56
KMT2A Q03164 3/20 0.56
CYP3A4 P08684 2/20 0.53
MPO P05164 1/20 0.53
CYP1A2 P05177 1/20 0.53
CYP2D6 P10635 1/20 0.53
CYP2A6 P11509 1/20 0.53
NFKB1 P19838 1/20 0.53
HTR1D P28221 1/20 0.53
HTR1B P28222 1/20 0.53
HTR2A P28223 1/20 0.53
HTR2C P28335 1/20 0.53
HTR7 P34969 1/20 0.53
CTSK P43235 1/20 0.53
HTR6 P50406 1/20 0.53
CYP2A13 Q16696 1/20 0.53
TAAR1 Q96RJ0 1/20 0.53
KIF20A O95235 1/20 0.52
PMP22 Q01453 1/20 0.51
TRPM8 Q7Z2W7 1/20 0.51

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
SCHEMBL5870915 0.86 MEN1 (0.68) MEN1KMT2ACYP3A4HTR6KIF20A
SCHEMBL31060530 0.83 HTR2A (0.57) MEN1KMT2ACYP3A4MPOCYP1A2
SCHEMBL735580 0.83 HTR2A (0.57) MEN1KMT2ACYP3A4MPOCYP1A2
SCHEMBL4832563 0.82 HRH4 (0.47) MEN1KMT2ACYP1A2CYP2D6CYP2A6
SCHEMBL8524609 0.82 MEN1 (0.70) MEN1KMT2ACYP3A4MPOCYP1A2
SCHEMBL3220165 0.82 MPO (0.56) KMT2AMPOHTR2ATRPM8GPR84
SCHEMBL24437964 0.81 CYP1A2 (0.58) MEN1KMT2ACYP1A2CYP2D6KIF20A
SCHEMBL26699137 0.80 GPR84 (0.52) MEN1KMT2AHTR6TRPM8TRPV1
SCHEMBL4985934 0.80 HTR2A (0.77) MEN1KMT2ACYP3A4MPOCYP1A2
SCHEMBL7855965 0.80 CYP3A4 (0.65) MEN1KMT2ACYP3A4CYP1A2MAPT

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
US-20050124620-A1 Indole derivatives having an acidic moiety that inhibit or modulate activity of p38 map kinase mediating a disease state; e.g., 3-(2-(4-pyridyl)ethyl)-5-(3-trifluoromethoxybenzamido)indole; enzyme inhibitors; antiarthritic, -inflammatory, and -carcinogenic agents; respiratory disorders; AIDS; Alzheimer's FREDERICKSON MARTYN (GB) 2005-06-09 US disclosed
EP-1495016-A2 HETEROCYCLIC COMPOUNDS AND THEIR USE AS MODULATORS OF P38 MAP KINASE Astex Technology Limited (GB) 2005-01-12 EP disclosed
WO-2003087087-A2 HETEROCYCLIC COMPOUNDS AND THEIR USE AS MODULATORS OF P38 MAP KINASE ASTEX TECHNOLOGY LIMITED (GB) 2003-10-23 WO 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-20050124620-A1 Indole derivatives having an acidic moiety that inhibit or modulate activity of p38 map kinase mediating a disease state; e.g., 3-(2-(4-pyridyl)ethyl)-5-(3-trifluoromethoxybenzamido)indole; enzyme inhibitors; antiarthritic, -inflammatory, and -carcinogenic agents; respiratory disorders; AIDS; Alzheimer's MAPK1, IDO1, INMT MEN1 4067/4885KMT2A 1750/4885CYP3A4 1382/4885

“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.