SCHEMBL13724949

SCHEMBL13724949

Cc1ccc(N2CCCOCC2)nc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.57
▸ GAA P10253 3/20 0.57
▸ SMN1; SMN2 Q16637 3/20 0.57
▸ HPGD P15428 3/20 0.57
▸ HSD17B10 Q99714 3/20 0.57
▸ MEN1 O00255 2/20 0.57
▸ MAPT P10636 2/20 0.57
▸ KMT2A Q03164 2/20 0.57
▸ KDM4E B2RXH2 2/20 0.57
▸ LMNA P02545 1/20 0.57
▸ HTT P42858 1/20 0.57
▸ RECQL P46063 1/20 0.57
▸ TDP1 Q9NUW8 1/20 0.57
▸ CNR2 P34972 5/20 0.53
▸ CYP1A2 P05177 2/20 0.53
▸ CYP2C19 P33261 1/20 0.53
▸ CYP11B1 P15538 1/20 0.52
▸ CYP11B2 P19099 1/20 0.52
▸ CYP2C9 P11712 1/20 0.50
▸ POLB P06746 1/20 0.49

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
SCHEMBL46309 0.93 ALDH1A1 (0.64) ALDH1A1GAASMN1; SMN2HPGDHSD17B10
SCHEMBL31415358 0.84 CNR2 (0.59) ALDH1A1MAPTLMNACNR2GRIN2D
SCHEMBL806544 0.84 CNR2 (0.59) ALDH1A1MAPTLMNACNR2GRIN2D
SCHEMBL11988476 0.84 GRIN2D (0.56) ALDH1A1GAASMN1; SMN2HPGDHSD17B10
SCHEMBL1108644 0.83 CNR2 (0.62) ALDH1A1MAPTLMNACNR2GRIN2D
SCHEMBL82447 0.83 CNR2 (0.62) ALDH1A1MAPTLMNACNR2GRIN2D
SCHEMBL18307176 0.81 CNR2 (0.53) ALDH1A1GAASMN1; SMN2HPGDHSD17B10
SCHEMBL14167598 0.81 AKR1C3 (0.63) ALDH1A1GAASMN1; SMN2HPGDHSD17B10
SCHEMBL14167603 0.81 CNR2 (0.53) ALDH1A1GAASMN1; SMN2HPGDHSD17B10
SCHEMBL2744078 0.81 CNR2 (0.53) ALDH1A1GAASMN1; SMN2HPGDHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9624229-B2 Pyrimidine-2-amine compounds and their use as inhibitors of JAK kinases RIGEL PHARMACEUTICALS, INC. (US) 2017-04-18 — — US disclosed
US-20140213585-A1 PYRIMIDINE-2-AMINE COMPOUNDS AND THEIR USE AS INHIBITORS OF JAK KINASES RIGEL PHARMACEUTICALS, INC. (US) 2014-07-31 — — US disclosed
US-8735418-B2 Pyrimidine-2-amine compounds and their use as inhibitors of JAK kinases RIGEL PHARMACEUTICALS, INC. (US) 2014-05-27 — — US disclosed
US-20090203667-A1 PENTADIENAMIDE DERIVATIVES KYOWA HAKKO KIRIN CO., LTD. (JP) 2009-08-13 — — US disclosed
EP-2050734-A1 PENTADIENAMIDE DERIVATIVE Kyowa Hakko Kirin Co., Ltd. (JP) 2009-04-22 — — EP 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-20140213585-A1 PYRIMIDINE-2-AMINE COMPOUNDS AND THEIR USE AS INHIBITORS OF JAK KINASES JAK2, JAK1, JAK3 ALDH1A1 3219/4885GAA 3112/4885SMN1; SMN2 1767/4885
US-20090203667-A1 PENTADIENAMIDE DERIVATIVES PRMT1, REN, NGLY1 ALDH1A1 1143/4885GAA 4659/4885SMN1; SMN2 3258/4885

“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.

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