SCHEMBL2166078

SCHEMBL2166078

Nc1nc(N)c2c(N3CCN(C(=O)c4ccc5c(c4)OCO5)CC3)cccc2n1

nearest known ligand 0.58

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.58
HSD17B10 Q99714 3/20 0.55
TSHR P16473 2/20 0.55
GFER P55789 1/20 0.55
KDM4E B2RXH2 2/20 0.53
LMNA P02545 3/20 0.52
USP2 O75604 2/20 0.52
NPSR1 Q6W5P4 2/20 0.52
HPGD P15428 4/20 0.51
KMT2A Q03164 2/20 0.51
CYP1A2 P05177 1/20 0.50
CYP3A4 P08684 1/20 0.50
CYP2D6 P10635 1/20 0.50
CYP2C9 P11712 1/20 0.50
CYP2C19 P33261 1/20 0.50
POLB P06746 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
GBA1 P04062 1/20 0.46

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
SCHEMBL2168162 0.85 LMNA (0.54) ALDH1A1HSD17B10TSHRLMNAUSP2
SCHEMBL2165448 0.84 HPGD (0.47) ALDH1A1HPGDKMT2ASMN1; SMN2
SCHEMBL2166325 0.83 KDM4E (0.52) ALDH1A1HSD17B10TSHRKDM4ENPSR1
SCHEMBL2168221 0.82 HPGD (0.51) ALDH1A1HSD17B10TSHRKDM4ELMNA
SCHEMBL2164157 0.82 L3MBTL1 (0.50) ALDH1A1HSD17B10TSHRKDM4ELMNA
SCHEMBL2166066 0.82 ALDH1A1 (0.51) ALDH1A1HSD17B10TSHRKDM4ELMNA
SCHEMBL2166122 0.82 MEN1 (0.52) ALDH1A1TSHRKDM4ELMNAKMT2A
SCHEMBL2165589 0.82 DRD2 (0.52) ALDH1A1HSD17B10TSHRGFERKDM4E
SCHEMBL2164668 0.80 DCPS (0.72) CYP2D6
SCHEMBL4435591 0.80 SMN1; SMN2 (0.39) ALDH1A1TSHRKDM4EUSP2NPSR1

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
EP-2069316-B1 2,4-DIAMINOQUINAZOLINES FOR SPINAL MUSCULAR ATROPHY FAMILIES OF SPINAL MUSCULAR ATROPHY (US) 2015-10-07 EP disclosed
US-7985755-B2 2,4-diaminoquinazolines for spinal muscular atrophy FAMILIES OF SPINAL MUSCULAR ATROPHY (US) 2011-07-26 US disclosed
US-20090042900-A1 2,4-DIAMINOQUINAZOLINES FOR SPINAL MUSCULAR ATROPHY DECODE CHEMISTRY, INC. (US) 2009-02-12 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-20090042900-A1 2,4-DIAMINOQUINAZOLINES FOR SPINAL MUSCULAR ATROPHY SMN1; SMN2, MUSK, MYT1 ALDH1A1 1308/4885HSD17B10 3083/4885TSHR 4604/4885

“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.