SCHEMBL750189

SCHEMBL750189

CSc1cc(NN)nc(C)n1

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.36
CYP1A2 P05177 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
ALDH1A1 P00352 2/20 0.34
HSP90AB1 P08238 1/20 0.32
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
KDM4E B2RXH2 1/20 0.31
BRD4 O60885 1/20 0.31
GAA P10253 2/20 0.30
PKM P14618 2/20 0.30
POLB P06746 1/20 0.30

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
SCHEMBL11001844 0.80 MEN1 (0.41) MAPTCYP1A2CYP2C9CYP2C19ALDH1A1
SCHEMBL11189550 0.78 ALDH1A1 (0.37) MAPTCYP1A2CYP2C9CYP2C19ALDH1A1
SCHEMBL750585 0.78 MAPT (0.46) MAPTCYP1A2CYP2C9CYP2C19ALDH1A1
SCHEMBL2722102 0.74 PDE4A (0.46) MAPTCYP1A2ALDH1A1KMT2AKDM4E
SCHEMBL15689263 0.72 HSP90AB1 (0.40) MAPTCYP1A2CYP2C9CYP2C19HSP90AB1
SCHEMBL21711151 0.72 CYP1A2 (0.48) MAPTCYP1A2CYP2C9CYP2C19ALDH1A1
SCHEMBL2721693 0.71 KMT2A (0.46) MAPTCYP2C19ALDH1A1MEN1KMT2A
SCHEMBL3596376 0.69 L3MBTL1 (0.32)
SCHEMBL118222 0.68 MAPT (0.39) MAPTCYP1A2CYP2C9CYP2C19HSP90AB1
SCHEMBL115419 0.68 MAPT (0.39) MAPTCYP1A2CYP2C9CYP2C19ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120190666-A1 Heteroaryl Compounds as PIKK Inhibitors AMGEN INC. (US) 2012-07-26 US disclosed
US-20120190666-A1 Heteroaryl Compounds as PIKK Inhibitors AMGEN INC. (US) 2012-07-26 US disclosed
EP-2430013-A1 HETEROARYL COMPOUNDS AS PIKK INHIBITORS Amgen, Inc (US) 2012-03-21 EP disclosed
WO-2010132598-A1 HETEROARYL COMPOUNDS AS PIKK INHIBITORS AMGEN INC. (US) 2010-11-18 WO disclosed
US-4612375-A Substituted 4-hydrazino-pyrimides as intermediates for triazolo [4,3-c]pyrimidines RIKER LABORATORIES, INC. (US) 1986-09-16 US disclosed
US-4532242-A Bronchodilator agents RIKER LABORATORIES, INC. (US) 1985-07-30 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-20120190666-A1 Heteroaryl Compounds as PIKK Inhibitors PIK3CA, PIKFYVE, PIK3CD MAPT 3169/4885CYP1A2 2264/4885CYP2C9 2323/4885

“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.