SCHEMBL3198605

SCHEMBL3198605

Cc1ccc2[nH]c(=O)c3cnn(CC(=O)NCCN(C)C4CCCCC4)c3c2c1

nearest known ligand 0.52

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.48
HBB P68871 1/20 0.48
LMNA P02545 1/20 0.48
THRB P10828 3/20 0.46
MAPT P10636 3/20 0.46
TP53 P04637 1/20 0.45
MEN1 O00255 1/20 0.44
TSHR P16473 2/20 0.44
PKM P14618 1/20 0.43

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
SCHEMBL3198615 0.85 LMNA (0.49) KMT2AHBBLMNATHRBMAPT
SCHEMBL3191108 0.84 HBB (0.49) KMT2AHBBLMNATHRBMAPT
SCHEMBL3190544 0.83 HBB (0.70) HBBTHRBMAPTTP53TSHR
SCHEMBL3200372 0.83 LMNA (0.45) KMT2ALMNATHRBMAPTTP53
SCHEMBL3191224 0.80 HBB (0.45) KMT2AHBBTHRBMAPTTP53
SCHEMBL3203581 0.75 NPSR1 (0.63) HBBMAPTTP53TSHR
SCHEMBL3179824 0.74 HBB (0.57) HBBTHRBMAPTTP53TSHR
SCHEMBL3195515 0.74 ATM (0.44) MAPTTP53
SCHEMBL3185752 0.74 ATM (0.44) MAPTTP53
SCHEMBL3191690 0.74 ATM (0.44) MAPTTP53

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-7671069-B2 Tricyclic, heteroaromatic compounds modulating CXCR4 and/ or CXCR7 CHEMOCENTRYX, INC. (US) 2010-03-02 US disclosed
US-20070254915-A1 CXCR4 MODULATORS CHEMOCENTRYX, INC. (US) 2007-11-01 US disclosed
WO-2007115232-A2 CXCR4 MODULATORS CHEMOCENTRYX, INC. (US) 2007-10-11 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-20070254915-A1 CXCR4 MODULATORS CXCL12, CXCR4, CXCR1 KMT2A 3838/4885HBB 4502/4885LMNA 4638/4885

“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.