SCHEMBL16994485

SCHEMBL16994485

CC1(C)CC(N/C(=N/C#N)Nc2cccnc2)C(C)(C)N1O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ P2RX7 Q99572 1/20 0.43
▸ KMT2A Q03164 3/20 0.40
▸ MEN1 O00255 2/20 0.40
▸ ABCC9 O60706 2/20 0.40
▸ ABCC8 Q09428 2/20 0.40
▸ KCNJ11 Q14654 2/20 0.40
▸ KCNJ8 Q15842 2/20 0.40
▸ CYP1A2 P05177 1/20 0.40
▸ CYP3A4 P08684 1/20 0.40
▸ CYP2D6 P10635 1/20 0.40
▸ LMNA P02545 1/20 0.39
▸ EPHX2 P34913 2/20 0.35
▸ USP2 O75604 1/20 0.35
▸ ALDH1A1 P00352 4/20 0.35
▸ POLB P06746 1/20 0.34
▸ CYP11B1 P15538 1/20 0.34
▸ CYP11B2 P19099 1/20 0.34
▸ TSHR P16473 1/20 0.34
▸ NAMPT P43490 3/20 0.34
▸ GRIN2B Q13224 1/20 0.34

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
SCHEMBL19668355 1.00 P2RX7 (0.43) P2RX7KMT2AMEN1ABCC9ABCC8
SCHEMBL16994510 0.87 P2RX7 (0.44) P2RX7KMT2AMEN1ABCC9ABCC8
SCHEMBL9902361 0.87 P2RX7 (0.44) P2RX7KMT2AMEN1ABCC9ABCC8
SCHEMBL9902357 0.87 P2RX7 (0.44) P2RX7KMT2AMEN1ABCC9ABCC8
SCHEMBL9905806 0.87 P2RX7 (0.39) P2RX7KMT2AABCC9KCNJ11CYP1A2
SCHEMBL9905805 0.87 P2RX7 (0.39) P2RX7KMT2AABCC9KCNJ11CYP1A2
SCHEMBL16994500 0.87 P2RX7 (0.39) P2RX7KMT2AABCC9KCNJ11CYP1A2
SCHEMBL17271378 0.87 P2RX7 (0.39) P2RX7KMT2AMEN1ABCC9KCNJ11
SCHEMBL16994512 0.87 P2RX7 (0.39) P2RX7KMT2AMEN1ABCC9KCNJ11
SCHEMBL16994511 0.83 P2RX7 (0.41) P2RX7KMT2AMEN1ABCC9ABCC8

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
WO-2017208129-A1 PHARMACEUTICAL COMPOSITION AND METHOD FOR REDUCING INTRAOCULAR PRESSURE TISBURY PHARMACEUTICALS, INC. (US) 2017-12-07 — — WO disclosed
US-20170107198-A1 MULTIFUNCTIONAL NITROXIDE DERIVATIVES AND USES THEREOF TISBURY PHARMACEUTICALS, INC 2017-04-20 — — US disclosed
US-9522903-B2 Multifunctional nitroxide derivatives and uses thereof RADIKAL THERAPEUTICS INC. (US) 2016-12-20 — — US disclosed
US-20150336932-A1 MULTIFUNCTIONAL NITROXIDE DERIVATIVES AND USES THEREOF TISBURY PHARMACEUTICALS, INC 2015-11-26 — — US disclosed
US-9102659-B2 Multifunctional nitroxide derivatives and uses thereof RADIKAL THERAPEUTICS INC. (US) 2015-08-11 — — 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-20170107198-A1 MULTIFUNCTIONAL NITROXIDE DERIVATIVES AND USES THEREOF NOX4, NOX1, NOS1 P2RX7 348/4885KMT2A 3054/4885MEN1 4442/4885
US-20150336932-A1 MULTIFUNCTIONAL NITROXIDE DERIVATIVES AND USES THEREOF NOX4, NOX1, NOX3 P2RX7 412/4885KMT2A 3506/4885MEN1 4636/4885

“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.

Send feedback