SCHEMBL6029135

SCHEMBL6029135

COc1ccc(-c2cnc(CCC(=O)NC(CC3=COCO3)(Cc3ccccc3)C3CCCNC3)nc2)cc1OC

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.35
ROCK2 O75116 3/20 0.35
AAK1 Q2M2I8 1/20 0.35
POLB P06746 1/20 0.35
HPGD P15428 2/20 0.34
ACP1 P24666 1/20 0.34
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
TSHR P16473 1/20 0.33
CYP2C19 P33261 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
PKN2 Q16513 1/20 0.32
MAPT P10636 1/20 0.32
STK17B O94768 1/20 0.32
CCNT1 O60563 1/20 0.32
CDK9 P50750 1/20 0.32
APP P05067 1/20 0.32
TACR1 P25103 1/20 0.32

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
SCHEMBL6029211 0.91 RPLP1 (0.35) POLBHPGDTSHRSMN1; SMN2
SCHEMBL6029143 0.90 AAK1 (0.35) ROCK2AAK1ACP1PKN2MAPT
SCHEMBL6030078 0.80 MAPT (0.35) KMT2APOLBHPGDCYP1A2CYP3A4
SCHEMBL6028819 0.75 KIT (0.39) KMT2AHPGDTSHRMAPT
SCHEMBL6029398 0.72 STK17B (0.36) ROCK2AAK1HPGDSMN1; SMN2STK17B
SCHEMBL6030077 0.71 MEN1 (0.52) KMT2AROCK2AAK1HPGDACP1
SCHEMBL6029139 0.69 KDM4E (0.41) KMT2APOLBHPGDMAPT
SCHEMBL6029743 0.69 KMT2A (0.41) KMT2APOLBHPGDCYP1A2CYP3A4
SCHEMBL6029207 0.67 MCHR1 (0.38) KMT2APOLBTSHRMAPT
SCHEMBL6030139 0.66 ALOX15 (0.37) KMT2AROCK2AAK1HPGDCYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6984643-B2 2,5-substituted pyrimidine derivatives-CCR-3 receptor antagonists ROCHE PALO ALTO LLC (US) 2006-01-10 US disclosed
EP-1521582-A1 2,5-SUBSTITUTED PYRIMIDINE DERIVATIVES AS CCR-3 RECEPTOR ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2005-04-13 EP disclosed
US-20040014775-A1 2,5-substituted pyrimidine derivatives-CCR-3 receptor antagonists ROCHE PALO ALTO LLC 2004-01-22 US disclosed
WO-2004004731-A1 2, 5-SUBSTITUTED PYRIMIDINE DERIVATIVES AS CCR-3 RECEPTOR ANTAGONISTS IX F. HOFFMANN-LA ROCHE AG (CH) 2004-01-15 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-20040014775-A1 2,5-substituted pyrimidine derivatives-CCR-3 receptor antagonists CCR3, CCR1, CCRL2 KMT2A 3830/4885ROCK2 4172/4885AAK1 2180/4885

“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.