SCHEMBL99844

SCHEMBL99844

CNc1cc(Cl)nc(SCc2ccc(OC)cc2)n1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 3/20 0.50
CYP1A2 P05177 2/20 0.50
CYP3A4 P08684 2/20 0.50
CYP2D6 P10635 2/20 0.50
CYP2C9 P11712 2/20 0.50
CYP2C19 P33261 2/20 0.50
POLB P06746 3/20 0.47
NPC1 O15118 2/20 0.46
RAB9A P51151 2/20 0.46
CTSB P07858 1/20 0.44
ALDH1A1 P00352 2/20 0.44
TOP2A P11388 1/20 0.44
MAPT P10636 6/20 0.43
TP53 P04637 2/20 0.43
GAA P10253 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
KMT2A Q03164 2/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
KDM4E B2RXH2 1/20 0.43
HPGD P15428 1/20 0.43

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
SCHEMBL99151 0.87 NPC1 (0.54) NPSR1CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL6640584 0.81 KMT2A (0.60) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL2479303 0.81 NPC1 (0.46) POLBNPC1RAB9ACTSBALDH1A1
SCHEMBL8150025 0.80 CTSB (0.48) NPSR1CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL10997174 0.80 PPARA (0.61) CYP3A4CYP2D6ALDH1A1SMN1; SMN2KMT2A
SCHEMBL6640190 0.78 FABP4 (0.57) NPSR1CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL98859 0.77 ALDH1A1 (0.72) NPSR1CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL31647232 0.76 APP (0.55) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL27595525 0.75 MAPT (0.50) NPSR1CYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL10691068 0.74 NPC1 (0.55) NPSR1POLBNPC1RAB9ACTSB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9132130-B2 Purine derivative and antitumor agent using same ZENYAKU KOGYO KABUSHIKI KAISHA (JP) 2015-09-15 US disclosed
US-9132130-B2 Purine derivative and antitumor agent using same ZENYAKU KOGYO KABUSHIKI KAISHA (JP) 2015-09-15 US disclosed
US-9132130-B2 Purine derivative and antitumor agent using same ZENYAKU KOGYO KABUSHIKI KAISHA (JP) 2015-09-15 US disclosed
EP-2426130-B1 PURINE DERIVATIVE AND ANTITUMOR AGENT USING SAME ZENYAKU KOGYO KK (JP) 2015-03-11 EP disclosed
US-20120088765-A1 PURINE DERIVATIVE AND ANTITUMOR AGENT USING SAME ZENYAKU KOGYO KABUSHIKIKAISHA (JP) 2012-04-12 US disclosed
US-20120088765-A1 PURINE DERIVATIVE AND ANTITUMOR AGENT USING SAME ZENYAKU KOGYO KABUSHIKIKAISHA (JP) 2012-04-12 US disclosed
US-20120088765-A1 PURINE DERIVATIVE AND ANTITUMOR AGENT USING SAME ZENYAKU KOGYO KABUSHIKIKAISHA (JP) 2012-04-12 US disclosed
EP-2426130-A1 PURINE DERIVATIVE AND ANTITUMOR AGENT USING SAME ZENYAKU KOGYO KABUSHIKIKAISHA (JP) 2012-03-07 EP disclosed
EP-2426130-A1 PURINE DERIVATIVE AND ANTITUMOR AGENT USING SAME ZENYAKU KOGYO KABUSHIKIKAISHA (JP) 2012-03-07 EP disclosed
WO-2010126101-A1 PURINE DERIVATIVE AND ANTITUMOR AGENT USING SAME 全薬工業株式会社 (JP) 2010-11-04 WO 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-20120088765-A1 PURINE DERIVATIVE AND ANTITUMOR AGENT USING SAME PNP, TYMP, DPYD NPSR1 2537/4885CYP1A2 2409/4885CYP3A4 1762/4885

“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.