SCHEMBL12423697

SCHEMBL12423697

C[C@@H](NC(=O)c1ccc(-c2ccnc(Nc3cccc(N4CCOCC4)c3)n2)s1)c1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 8/20 0.56
JAK3 P52333 4/20 0.53
CAMK2D Q13557 1/20 0.49
IGF1R P08069 4/20 0.48
KDR P35968 3/20 0.48
STK3 Q13188 3/20 0.48
AURKB Q96GD4 3/20 0.48
MAP4K5 Q9Y4K4 3/20 0.48
LCK P06239 2/20 0.48
PTK2 Q05397 2/20 0.48
MAP4K2 Q12851 2/20 0.48
CCNT1 O60563 3/20 0.47
CCNA2 P20248 3/20 0.47
CDK2 P24941 3/20 0.47
CDK9 P50750 3/20 0.47
AURKA O14965 3/20 0.47
TYK2 P29597 2/20 0.47
EGFR P00533 2/20 0.47
ERBB2 P04626 2/20 0.47
CSF1R P07333 2/20 0.47

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
SCHEMBL2196781 1.00 JAK2 (0.56) JAK2JAK3CAMK2DIGF1RKDR
SCHEMBL12423693 0.91 CDK2 (0.54) JAK2KDRAURKBMAP4K5LCK
SCHEMBL12509523 0.91 CDK2 (0.54) JAK2KDRAURKBMAP4K5LCK
SCHEMBL3104286 0.86 JAK2 (0.63) JAK2JAK3CAMK2DIGF1RKDR
SCHEMBL2195856 0.85 IKBKB (0.45) JAK2JAK3CAMK2DIGF1RKDR
SCHEMBL12423691 0.85 IKBKB (0.45) JAK2JAK3CAMK2DIGF1RKDR
SCHEMBL12423387 0.83 CAMK2D (0.48) CAMK2DAURKBCCNT1CCNA2CDK2
SCHEMBL12423400 0.83 CAMK2D (0.48) CAMK2DAURKBCCNT1CCNA2CDK2
SCHEMBL12423237 0.83 CAMK2D (0.48) CAMK2DAURKBCCNT1CCNA2CDK2
SCHEMBL13052281 0.83 CAMK2D (0.48) CAMK2DAURKBCCNT1CCNA2CDK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7977481-B2 Pyrimidinyl-thiophene kinase modulators SGX PHARMACEUTICALS, INC. (US) 2011-07-12 US disclosed
US-7977481-B2 Pyrimidinyl-thiophene kinase modulators SGX PHARMACEUTICALS, INC. (US) 2011-07-12 US disclosed
US-20100305128-A1 Pyrimidinyl-Thiophene Kinase Modulators ARNOLD WILLIAM D 2010-12-02 US disclosed
US-20100305128-A1 Pyrimidinyl-Thiophene Kinase Modulators ARNOLD WILLIAM D 2010-12-02 US disclosed
US-7803806-B2 Pyrimidinyl-thiophene kinase modulators SGX PHARMACEUTICALS, INC. (US) 2010-09-28 US disclosed
US-7803806-B2 Pyrimidinyl-thiophene kinase modulators SGX PHARMACEUTICALS, INC. (US) 2010-09-28 US disclosed
US-20070117800-A1 PYRIMIDINYL-THIOPHENE KINASE MODULATORS SGX PHARMACEUTICALS, INC. (US) 2007-05-24 US disclosed
US-20070117800-A1 PYRIMIDINYL-THIOPHENE KINASE MODULATORS SGX PHARMACEUTICALS, INC. (US) 2007-05-24 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 (2 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-20100305128-A1 Pyrimidinyl-Thiophene Kinase Modulators MAP3K20, MAP3K6, MAP4K2 JAK2 217/4885JAK3 108/4885CAMK2D 313/4885
US-20070117800-A1 PYRIMIDINYL-THIOPHENE KINASE MODULATORS MAP3K20, MAP3K6, MAP4K2 JAK2 217/4885JAK3 108/4885CAMK2D 313/4885

“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.