SCHEMBL4747740

SCHEMBL4747740

CN1CCCC1CCNC(=N)N

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.48
CYP1A2 P05177 1/20 0.42
ACKR3 P25106 3/20 0.42
CHRM4 P08173 1/20 0.41
FPR3 P25089 1/20 0.38
FPR2 P25090 1/20 0.38
POLR1A O95602 1/20 0.36
TLR9 Q9NR96 1/20 0.35
TLR8 Q9NR97 1/20 0.35
TLR7 Q9NYK1 1/20 0.35
RAD52 P43351 1/20 0.35
SLC2A1 P11166 1/20 0.35

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
SCHEMBL30988389 0.83 ALDH1A1 (0.48) ALDH1A1CYP1A2ACKR3CHRM4FPR3
SCHEMBL4528736 0.83 ALDH1A1 (0.48) ALDH1A1CYP1A2ACKR3CHRM4FPR3
SCHEMBL7963540 0.83 ALDH1A1 (0.48) ALDH1A1CYP1A2ACKR3CHRM4FPR3
SCHEMBL18539297 0.78 ALDH1A1 (0.56) ALDH1A1CYP1A2ACKR3RAD52SLC2A1
SCHEMBL49464 0.78 ACKR3 (0.51) ALDH1A1CYP1A2ACKR3CHRM4FPR3
SCHEMBL6395379 0.78 ACKR3 (0.51) ALDH1A1CYP1A2ACKR3CHRM4FPR3
SCHEMBL424247 0.77 ALDH1A1 (0.48) ALDH1A1CYP1A2ACKR3CHRM4FPR3
SCHEMBL9887516 0.77 ACKR3 (0.50) ALDH1A1CYP1A2ACKR3CHRM4FPR3
SCHEMBL12156865 0.75 ACKR3 (0.52) ALDH1A1CYP1A2ACKR3CHRM4FPR3
SCHEMBL21430668 0.74 ALDH1A1 (0.56) ALDH1A1CYP1A2ACKR3RAD52SLC2A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1799684-B1 LACTAM COMPOUNDS USEFUL AS PROTEIN KINASE INHIBITORS MILLENNIUM PHARM INC (US) 2014-12-03 EP disclosed
US-20120178739-A1 LACTAM COMPOUNDS USEFUL AS PROTEIN KINASE INHIBITORS MILLENNIUM PHARMACEUTICALS, INC. (US) 2012-07-12 US disclosed
US-20110039820-A1 LACTAM COMPOUNDS USEFUL AS PROTEIN KINASE INHIBITORS MILLENNIUM PHARMACEUTICALS, INC. (US) 2011-02-17 US disclosed
US-20110039820-A1 LACTAM COMPOUNDS USEFUL AS PROTEIN KINASE INHIBITORS MILLENNIUM PHARMACEUTICALS, INC. (US) 2011-02-17 US disclosed
US-20090105213-A1 Lactam compounds useful as protein kinase inhibitors MILLENNIUM PHARMACEUTICALS, INC. (US) 2009-04-23 US disclosed
US-20090105213-A1 Lactam compounds useful as protein kinase inhibitors MILLENNIUM PHARMACEUTICALS, INC. (US) 2009-04-23 US disclosed
EP-1296973-B1 GUANIDINE DERIVATIVES OF QUINAZOLINE FOR USE IN THE TREATMENT OF AUTOIMMUNE DISEASES ASTRAZENECA AB (SE) 2008-11-05 EP 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 (3 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-20120178739-A1 LACTAM COMPOUNDS USEFUL AS PROTEIN KINASE INHIBITORS PRKCI, PIK3CA, AKT1 ALDH1A1 4635/4885CYP1A2 3883/4885ACKR3 2874/4885
US-20090105213-A1 Lactam compounds useful as protein kinase inhibitors PRKCI, PIK3CA, AKT1 ALDH1A1 4635/4885CYP1A2 3883/4885ACKR3 2874/4885
US-20110039820-A1 LACTAM COMPOUNDS USEFUL AS PROTEIN KINASE INHIBITORS PRKCI, PIK3CA, AKT1 ALDH1A1 4635/4885CYP1A2 3883/4885ACKR3 2874/4885

“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.