SCHEMBL5116457

SCHEMBL5116457

Cc1sc2nc(-n3ccnc3C)nc(NCc3ccccc3)c2c1C

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.47
KDM4E B2RXH2 4/20 0.47
LMNA P02545 3/20 0.47
SMN1; SMN2 Q16637 5/20 0.47
RXFP1 Q9HBX9 2/20 0.45
GAA P10253 1/20 0.45
PLA2G1B P04054 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
ATG4B Q9Y4P1 1/20 0.42
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
RAB9A P51151 2/20 0.41
HTT P42858 5/20 0.41
MAPK1 P28482 4/20 0.40
TDP1 Q9NUW8 2/20 0.39
CHRM4 P08173 1/20 0.39
MAPT P10636 2/20 0.38
ESR1 P03372 1/20 0.38
POLB P06746 1/20 0.38
ALOX15 P16050 1/20 0.38

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
SCHEMBL5113881 0.90 ESR1 (0.38) ALDH1A1KDM4ELMNASMN1; SMN2RXFP1
SCHEMBL5123715 0.90 GAA (0.46) ALDH1A1KDM4ELMNASMN1; SMN2RXFP1
SCHEMBL5118731 0.85 GAA (0.42) ALDH1A1KDM4ELMNASMN1; SMN2RXFP1
SCHEMBL5123053 0.84 MEN1 (0.41) ALDH1A1KDM4ELMNASMN1; SMN2RXFP1
SCHEMBL5114215 0.83 RAB9A (0.42) ALDH1A1KDM4ELMNASMN1; SMN2RXFP1
SCHEMBL5125398 0.83 ESR1 (0.47) ALDH1A1KDM4ELMNASMN1; SMN2RXFP1
SCHEMBL7128058 0.82 PDE5A (0.57) ALDH1A1KDM4ELMNASMN1; SMN2GAA
SCHEMBL5114161 0.82 ALDH1A1 (0.47) ALDH1A1KDM4ELMNASMN1; SMN2RXFP1
SCHEMBL5121556 0.82 PDE5A (0.41) ALDH1A1KDM4ELMNASMN1; SMN2RXFP1
SCHEMBL5125465 0.82 PDE5A (0.58) ALDH1A1KDM4ELMNASMN1; SMN2RXFP1

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-20080045529-A1 Use Of Thienopyrimidines MERCK PATENT GMBH (DE) 2008-02-21 US disclosed
US-6432950-B1 ANTICANCER AGENTS; KILLING CANCER CELLS CELL PATHWAYS 2002-08-13 US disclosed
US-6133271-A Method for inhibiting neoplastic cells and related conditions by exposure thienopyrimidine derivatives CELL PATHWAYS, INC. (US) 2000-10-17 US disclosed
US-6110920-A TREATMENT OF CARDIOVASCULAR DISORDERS AND IMPOTENCY MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2000-08-29 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-20080045529-A1 Use Of Thienopyrimidines TIE1, DPYD, TK2 ALDH1A1 1055/4885KDM4E 257/4885LMNA 3799/4885

“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.