SCHEMBL17297327

SCHEMBL17297327

Cc1cncc(C(=O)N(C)CCN)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HCAR2 Q8TDS4 1/20 0.50
▸ ATM Q13315 1/20 0.46
▸ SMYD3 Q9H7B4 2/20 0.44
▸ KMT2A Q03164 2/20 0.41
▸ CYP11B2 P19099 1/20 0.36
▸ KDM4E B2RXH2 1/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ CDK4 P11802 1/20 0.34
▸ CCND1 P24385 1/20 0.34
▸ CHEK1 O14757 1/20 0.34
▸ HDAC6 Q9UBN7 1/20 0.34
▸ ACKR3 P25106 2/20 0.34
▸ PDK1 Q15118 1/20 0.33
▸ PDK2 Q15119 1/20 0.33
▸ PDK3 Q15120 1/20 0.33
▸ PDK4 Q16654 1/20 0.33
▸ CYP2C9 P11712 1/20 0.33
▸ CYP2C19 P33261 1/20 0.33
▸ CDK1 P06493 1/20 0.33

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
SCHEMBL17297343 0.86 HCAR2 (0.51) HCAR2ATMSMYD3KMT2ACYP11B2
SCHEMBL12678010 0.82 HCAR2 (0.55) HCAR2ATMSMYD3KMT2AKDM4E
SCHEMBL14754890 0.82 KMT2A (0.44) SMYD3KMT2ACYP11B2KDM4EMEN1
SCHEMBL23074454 0.81 KDM4E (0.54) KMT2ACYP11B2KDM4EMEN1ALDH1A1
SCHEMBL20987766 0.81 KMT2A (0.39) KMT2ACYP11B2KDM4EMEN1ALDH1A1
SCHEMBL14752177 0.81 ESRRG (0.40) KMT2ACYP11B2KDM4EMEN1ALDH1A1
SCHEMBL12048998 0.78 HCAR2 (0.62) HCAR2ATMSMYD3KMT2AKDM4E
SCHEMBL24576770 0.76 HCAR2 (0.60) HCAR2ATMSMYD3KMT2AKDM4E
SCHEMBL10282081 0.75 HCAR2 (0.58) HCAR2ATMSMYD3KMT2ACYP11B2
SCHEMBL17888388 0.75 CDK4 (0.49) ATMALDH1A1CDK4CCND1HDAC6

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
EP-3888657-A1 HETEROCYCLYLAMINES AS PI3K INHIBITORS Incyte Holdings Corporation (US) 2021-10-06 — — EP disclosed
US-20170340641-A1 HETEROCYCLYLAMINES AS PI3K INHIBITORS INCYTE CORPORATION 2017-11-30 — — US disclosed
US-9730939-B2 Heterocyclylamines as PI3K inhibitors INCYTE HOLDINGS CORPORATION (US) 2017-08-15 — — US disclosed
US-9707233-B2 Heterocyclylamines as PI3K inhibitors INCYTE HOLDINGS CORPORATION (US) 2017-07-18 — — US disclosed
EP-2751109-B1 HETEROCYCLYLAMINES AS PI3K INHIBITORS INCYTE HOLDINGS CORP (US) 2016-11-30 — — EP disclosed
US-20160024117-A1 HETEROCYCLYLAMINES AS PI3K INHIBITORS INCYTE CORPORATION 2016-01-28 — — US disclosed
US-20160022685-A1 HETEROCYCLYLAMINES AS PI3K INHIBITORS INCYTE CORPORATION 2016-01-28 — — US disclosed
US-9199982-B2 Heterocyclylamines as PI3K inhibitors INCYTE HOLDINGS CORPORATION (US) 2015-12-01 — — 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 (3 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-20170340641-A1 HETEROCYCLYLAMINES AS PI3K INHIBITORS PIK3CA, PIK3CD, PIK3CB HCAR2 1581/4885ATM 394/4885SMYD3 1123/4885
US-20160024117-A1 HETEROCYCLYLAMINES AS PI3K INHIBITORS PIK3CA, PIK3CD, PIK3CB HCAR2 1581/4885ATM 394/4885SMYD3 1123/4885
US-20160022685-A1 HETEROCYCLYLAMINES AS PI3K INHIBITORS PIK3CA, PIK3CD, PIK3CB HCAR2 1581/4885ATM 394/4885SMYD3 1123/4885

“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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