SCHEMBL16714533

SCHEMBL16714533

CC(C)(C)n1cnc2c(Cl)nc(Cl)nc21

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PI4KA P42356 1/20 0.45
PI4K2B Q8TCG2 1/20 0.45
PI4K2A Q9BTU6 1/20 0.45
PI4KB Q9UBF8 1/20 0.45
P2RX7 Q99572 2/20 0.44
CDK1 P06493 3/20 0.41
YTHDC1 Q96MU7 4/20 0.39
LMNA P02545 3/20 0.39
TP53 P04637 2/20 0.39
CDK2 P24941 3/20 0.38
CCNE2 O96020 1/20 0.38
CCNE1 P24864 1/20 0.38
ALDH1A1 P00352 2/20 0.34
MAPT P10636 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
HDAC3 O15379 1/20 0.32
HDAC4 P56524 1/20 0.32
HDAC1 Q13547 1/20 0.32
HDAC7 Q8WUI4 1/20 0.32
HDAC2 Q92769 1/20 0.32

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
SCHEMBL30332427 1.00 PI4KA (0.45) PI4KAPI4K2BPI4K2API4KBP2RX7
SCHEMBL12702562 0.84 PI4KA (0.44) PI4KAPI4K2BPI4K2API4KBP2RX7
SCHEMBL30173140 0.83 PI4KA (0.42) PI4KAPI4K2BPI4K2API4KBP2RX7
SCHEMBL19968864 0.83 PI4KA (0.42) PI4KAPI4K2BPI4K2API4KBP2RX7
SCHEMBL12702726 0.83 CDK1 (0.63) PI4KAPI4K2BPI4K2API4KBCDK1
SCHEMBL25014486 0.83 PI4KA (0.42) PI4KAPI4K2BPI4K2API4KBP2RX7
SCHEMBL25973358 0.83 PI4KA (0.42) PI4KAPI4K2BPI4K2API4KBP2RX7
SCHEMBL21511169 0.80 PI4KA (0.41) PI4KAPI4K2BPI4K2API4KBP2RX7
SCHEMBL21126195 0.76 PI4KA (0.64) PI4KAPI4K2BPI4K2API4KBP2RX7
SCHEMBL15921702 0.76 P2RX7 (0.46) P2RX7CDK1YTHDC1LMNATP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3071570-B1 2,6-SUBSTITUTED PURINE DERIVATIVES AND THEIR USE IN THE TREATMENT OF PROLIFERATIVE DISORDERS PFIZER (US) 2018-06-20 EP disclosed
EP-3071570-B1 2,6-SUBSTITUTED PURINE DERIVATIVES AND THEIR USE IN THE TREATMENT OF PROLIFERATIVE DISORDERS PFIZER (US) 2018-06-20 EP disclosed
EP-3071570-A1 2,6-SUBSTITUTED PURINE DERIVATIVES AND THEIR USE IN THE TREATMENT OF PROLIFERATIVE DISORDERS Pfizer Inc. (US) 2016-09-28 EP disclosed
US-9290496-B2 Purine derivatives PFIZER INC. (US) 2016-03-22 US disclosed
US-9290496-B2 Purine derivatives PFIZER INC. (US) 2016-03-22 US disclosed
US-9290496-B2 Purine derivatives PFIZER INC. (US) 2016-03-22 US disclosed
WO-2015075598-A1 2,6-SUBSTITUTED PURINE DERIVATIVES AND THEIR USE IN THE TREATMENT OF PROLIFERATIVE DISORDERS PFIZER INC. (US) 2015-05-28 WO disclosed
WO-2015075598-A1 2,6-SUBSTITUTED PURINE DERIVATIVES AND THEIR USE IN THE TREATMENT OF PROLIFERATIVE DISORDERS PFIZER INC. (US) 2015-05-28 WO disclosed
US-20150141402-A1 PURINE DERIVATIVES PFIZER INC. (US) 2015-05-21 US disclosed
US-20150141402-A1 PURINE DERIVATIVES PFIZER INC. (US) 2015-05-21 US disclosed
US-20150141402-A1 PURINE DERIVATIVES PFIZER INC. (US) 2015-05-21 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-20150141402-A1 PURINE DERIVATIVES ADORA3, ADORA1, HPRT1 PI4KA 3909/4885PI4K2B 3781/4885PI4K2A 3446/4885

“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.