SCHEMBL2011534

SCHEMBL2011534

COc1c(N)cccc1OCCN1CCOCC1

nearest known ligand 0.60

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 1/20 0.60
TSHR P16473 1/20 0.60
SYK P43405 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.52
POLB P06746 2/20 0.51
DRD1 P21728 1/20 0.51
DRD4 P21917 1/20 0.51
DRD5 P21918 1/20 0.51
CHEK1 O14757 1/20 0.51
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
KDM4E B2RXH2 4/20 0.49
TDP1 Q9NUW8 1/20 0.49
HTR2C P28335 1/20 0.48
HTR2B P41595 1/20 0.48

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
SCHEMBL3725632 0.84 SMN1; SMN2 (0.64) CYP2D6TSHRSYKSMN1; SMN2POLB
SCHEMBL30726450 0.83 DRD1 (0.56) CYP2D6TSHRSMN1; SMN2POLBDRD1
SCHEMBL1853220 0.83 DRD1 (0.62) CYP2D6TSHRSMN1; SMN2POLBDRD1
SCHEMBL25374902 0.81 KDM4E (0.57) CYP2D6TSHRSMN1; SMN2POLBDRD1
SCHEMBL1953267 0.81 TSHR (0.56) CYP2D6TSHRSMN1; SMN2POLBDRD1
SCHEMBL5319656 0.80 KDM4E (0.70) CYP2D6TSHRSYKSMN1; SMN2POLB
SCHEMBL5235337 0.80 DRD1 (0.52) CYP2D6TSHRSMN1; SMN2POLBDRD1
SCHEMBL13744516 0.80 SMN1; SMN2 (0.66) CYP2D6TSHRSYKSMN1; SMN2POLB
Ammonia Solution, Strong SCHEMBL4267670 0.79 KDM4E (0.68) CYP2D6TSHRSYKSMN1; SMN2POLB
SCHEMBL3378946 0.78 DRD1 (0.50) CYP2D6TSHRSMN1; SMN2POLBDRD1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7964592-B2 2,4-di (phenylamino) pyrimidines useful in the treatment of neoplastic diseases, inflammatory and immune system disorders NOVARTIS AG (CH) 2011-06-21 US disclosed
US-20060247241-A1 2,4-Di (phenylamino) pyrimidines useful in the treatment of neoplastic diseases, inflammatory and immune system disorders NOVARTIS AG (CH) 2006-11-02 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-20060247241-A1 2,4-Di (phenylamino) pyrimidines useful in the treatment of neoplastic diseases, inflammatory and immune system disorders TYMS, UMPS, TYMP CYP2D6 345/4885TSHR 4318/4885SYK 666/4885

“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.