SCHEMBL3419323

SCHEMBL3419323

CS(=O)(=O)N1CCN(c2ccc(N)cc2C(F)(F)F)CC1

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.50
TP53 P04637 1/20 0.50
MAPT P10636 1/20 0.50
ALDH1A1 P00352 6/20 0.48
HSD11B1 P28845 3/20 0.47
LMNA P02545 3/20 0.46
NPSR1 Q6W5P4 3/20 0.45
IDO1 P14902 2/20 0.44
MTOR P42345 2/20 0.41
HTT P42858 1/20 0.41
KMT2A Q03164 1/20 0.41
GLA P06280 1/20 0.40
POLB P06746 1/20 0.40
GAA P10253 1/20 0.40
TSHR P16473 1/20 0.40
TDO2 P48775 1/20 0.40
NR1H2 P55055 1/20 0.40

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
SCHEMBL16255667 0.84 NPSR1 (0.49) SMN1; SMN2MAPTALDH1A1HSD11B1LMNA
SCHEMBL31744938 0.83 HSD11B1 (0.48) SMN1; SMN2MAPTALDH1A1HSD11B1LMNA
SCHEMBL993691 0.81 ALDH1A1 (0.63) SMN1; SMN2MAPTALDH1A1LMNANPSR1
SCHEMBL12141562 0.81 NPSR1 (0.46) SMN1; SMN2ALDH1A1HSD11B1LMNANPSR1
SCHEMBL880662 0.81 MAPT (0.59) SMN1; SMN2TP53MAPTALDH1A1HTT
SCHEMBL29959068 0.81 MAPT (0.59) SMN1; SMN2TP53MAPTALDH1A1HTT
SCHEMBL13961606 0.80 MAPT (0.62) SMN1; SMN2TP53MAPTALDH1A1LMNA
SCHEMBL1813781 0.80 ALDH1A1 (0.61) SMN1; SMN2MAPTALDH1A1LMNANPSR1
SCHEMBL78966 0.79 ALDH1A1 (0.56) SMN1; SMN2TP53MAPTALDH1A1HTT
SCHEMBL16719192 0.78 MAPT (0.53) SMN1; SMN2TP53MAPTALDH1A1HSD11B1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2387565-B1 2,4-PYRIMIDINEDIAMINE COMPOUNDS FOR TREATMENT OF INFLAMMATORY DISORDERS RIGEL PHARMACEUTICALS INC (US) 2016-12-14 EP disclosed
EP-2387565-B1 2,4-PYRIMIDINEDIAMINE COMPOUNDS FOR TREATMENT OF INFLAMMATORY DISORDERS RIGEL PHARMACEUTICALS INC (US) 2016-12-14 EP disclosed
US-8334297-B2 2,4-pyrimidinediamine compounds for treatment of inflammatory disorders RIGEL PHARMACEUTICALS INC. (US) 2012-12-18 US disclosed
US-8334297-B2 2,4-pyrimidinediamine compounds for treatment of inflammatory disorders RIGEL PHARMACEUTICALS INC. (US) 2012-12-18 US disclosed
US-8334297-B2 2,4-pyrimidinediamine compounds for treatment of inflammatory disorders RIGEL PHARMACEUTICALS INC. (US) 2012-12-18 US disclosed
WO-2010083241-A2 2,4-PYRIMIDINEDIAMINE COMPOUNDS FOR TREATMENT OF INFLAMMATORY DISORDERS RIGEL PHARMACEUTICALS, INC. (US) 2010-07-22 WO disclosed
US-20100179164-A1 2,4-PYRIMIDINEDIAMINE COMPOUNDS FOR TREATMENT OF INFLAMMATORY DISORDERS MIDCAP FINANCIAL TRUST 2010-07-15 US disclosed
US-20100179164-A1 2,4-PYRIMIDINEDIAMINE COMPOUNDS FOR TREATMENT OF INFLAMMATORY DISORDERS MIDCAP FINANCIAL TRUST 2010-07-15 US disclosed
US-20100179164-A1 2,4-PYRIMIDINEDIAMINE COMPOUNDS FOR TREATMENT OF INFLAMMATORY DISORDERS MIDCAP FINANCIAL TRUST 2010-07-15 US disclosed
WO-2009012421-A1 CYCLIC AMINE SUBSTITUTED PYRIMIDINEDIAMINES AS PKC INHIBITORS RIGEL PHARMACEUTICALS, INC. (US) 2009-01-22 WO 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-20100179164-A1 2,4-PYRIMIDINEDIAMINE COMPOUNDS FOR TREATMENT OF INFLAMMATORY DISORDERS IL2, IL1B, IL1A SMN1; SMN2 3123/4885TP53 2812/4885MAPT 2879/4885

“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.