SCHEMBL4870962

SCHEMBL4870962

[CH2]CCCn1ccc2ncccc21

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 1/20 0.52
MET P08581 3/20 0.50
RPS6KA5 O75582 6/20 0.46
CDK4 P11802 3/20 0.41
CCND1 P24385 3/20 0.41
TDP1 Q9NUW8 1/20 0.41
RPS6KA4 O75676 2/20 0.38
CDC7 O00311 1/20 0.38
CDK2 P24941 1/20 0.38
LMNA P02545 1/20 0.38
ALOX15 P16050 1/20 0.38
TSHR P16473 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
SLC22A12 Q96S37 1/20 0.37
NR3C1 P04150 1/20 0.36
NR3C2 P08235 1/20 0.36

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
SCHEMBL562206 0.82 P2RX7 (0.54) P2RX7METRPS6KA5CDK4CCND1
SCHEMBL20665083 0.81 P2RX7 (0.53) P2RX7METRPS6KA5CDK4CCND1
SCHEMBL5676559 0.80 P2RX7 (0.47) P2RX7METRPS6KA5CDK4CCND1
SCHEMBL14409582 0.79 MET (0.52) P2RX7METRPS6KA5TDP1RPS6KA4
SCHEMBL293155 0.76 TDP1 (0.72) P2RX7TDP1LMNAALOX15TSHR
SCHEMBL14409585 0.75 MET (0.49) P2RX7METRPS6KA5TDP1RPS6KA4
SCHEMBL2049592 0.75 HTT (0.64) P2RX7METRPS6KA5TDP1LMNA
SCHEMBL12640059 0.75 RPS6KA5 (0.52) P2RX7METRPS6KA5TDP1RPS6KA4
SCHEMBL31609660 0.75 RPS6KA5 (0.52) P2RX7METRPS6KA5TDP1RPS6KA4
SCHEMBL4867446 0.73 LTA4H (0.50) TDP1LMNAALOX15TSHRSMN1; SMN2

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-7332476-B2 Pyridyl substituted ketolide antibiotics NOVARTIS AG (CH) 2008-02-19 US disclosed
US-20050009764-A1 Pyridyl substituted ketolide antibiotics CHIRON CORPORATION (US) 2005-01-13 US disclosed
US-6756359-B2 ADMINISTERING A 14 MEMBERED MACROLIDE AND KETOLIDE ANTIBIOTICS CONTAINING C12 MODIFICATIONS TO A PATIENT SUFFERING FROM BACTERIAL INFECTIONS CHIRON CORPORATION 2004-06-29 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-20050009764-A1 Pyridyl substituted ketolide antibiotics PKLR, KHK, PGD P2RX7 1839/4885MET 4093/4885RPS6KA5 520/4885

“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.