SCHEMBL3198494

SCHEMBL3198494

Cc1ccc2c(c1)-c1c(cnn1CC(=O)NCCCN1CC(C)CC(C)C1)CO2

nearest known ligand 0.59

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 3/20 0.59
▸ MEN1 O00255 2/20 0.59
▸ CYP1A2 P05177 1/20 0.59
▸ CYP2C9 P11712 1/20 0.59
▸ ACKR3 P25106 1/20 0.57
▸ TP53 P04637 2/20 0.54
▸ THRB P10828 1/20 0.54
▸ ALDH1A1 P00352 2/20 0.53
▸ PKM P14618 1/20 0.53
▸ LMNA P02545 2/20 0.49
▸ MAPT P10636 1/20 0.49
▸ POLB P06746 2/20 0.47

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
SCHEMBL3193731 0.90 MEN1 (0.56) KMT2AMEN1CYP1A2CYP2C9ACKR3
SCHEMBL3191639 0.89 KMT2A (0.54) KMT2AMEN1TP53THRBALDH1A1
SCHEMBL3195407 0.88 MEN1 (0.63) KMT2AMEN1CYP1A2CYP2C9TP53
SCHEMBL3185841 0.88 MEN1 (0.63) KMT2AMEN1CYP1A2CYP2C9TP53
SCHEMBL3197825 0.86 MEN1 (0.61) KMT2AMEN1CYP1A2CYP2C9TP53
SCHEMBL5353148 0.86 MEN1 (0.61) KMT2AMEN1CYP1A2CYP2C9TP53
SCHEMBL3185487 0.85 KMT2A (0.59) KMT2AMEN1CYP1A2CYP2C9TP53
SCHEMBL3187264 0.81 CYP2C9 (0.63) KMT2AMEN1CYP1A2CYP2C9TP53
SCHEMBL3197498 0.81 KMT2A (0.61) KMT2AMEN1CYP1A2CYP2C9TP53
SCHEMBL3189962 0.81 MEN1 (0.68) KMT2AMEN1CYP1A2CYP2C9TP53

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 3838/4885MEN1 4362/4885CYP1A2 4310/4885

“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.

Send feedback