SCHEMBL16202005

SCHEMBL16202005

Cc1ncn(-c2ccc(C)c(Cl)c2)n1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.44
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
ATM Q13315 1/20 0.44
TP53 P04637 2/20 0.44
MAPT P10636 2/20 0.44
POLB P06746 1/20 0.41
ALDH1A1 P00352 3/20 0.41
MAPK10 P53779 2/20 0.41
PKM P14618 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.39
CYP3A4 P08684 1/20 0.39
PSEN1 P49768 1/20 0.39
PSEN2 P49810 1/20 0.39
APH1B Q8WW43 1/20 0.39
NCSTN Q92542 1/20 0.39
APH1A Q96BI3 1/20 0.39
PSENEN Q9NZ42 1/20 0.39

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
SCHEMBL16202026 0.88 NOTUM (0.56) NOTUMMAPK10CYP3A4PSEN1PSEN2
SCHEMBL17185695 0.80 NOTUM (0.43) NOTUMALDH1A1MAPK10CYP3A4PSEN1
SCHEMBL3346136 0.79 MEN1 (0.45) NPC1RAB9AMEN1KMT2AATM
SCHEMBL17185590 0.79 MYC (0.56) NOTUMALDH1A1SMN1; SMN2F9
SCHEMBL16202009 0.78 NOTUM (0.46) NOTUMNPC1RAB9AMEN1KMT2A
SCHEMBL16201999 0.76 NOTUM (0.57) NOTUMF9
SCHEMBL16202012 0.76 NOTUM (0.47) NOTUMNPC1RAB9AMEN1KMT2A
SCHEMBL22198927 0.76 RXRA (0.43) MAPK10CYP3A4PSEN1PSEN2APH1B
SCHEMBL31402279 0.76 PSEN1 (0.37) NOTUMNPC1RAB9AMAPTALDH1A1
SCHEMBL19813232 0.75 NOTUM (0.61) NOTUMF9

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-20160249615-A1 Use of Strobilurin Type Compounds for Combating Phytopathogenic Fungi Resistant to QO Inhibitors BASF SE (DE) 2016-09-01 US disclosed
US-20160145219-A1 STROBILURIN TYPE COMPOUNDS FOR COMBATING PHYTOPATHOGENIC FUNGI BASF SE (DE) 2016-05-26 US disclosed
US-20160145202-A1 Strobilurin Type Compounds for Combating Phytopathogenic Fungi BASF SE (DE) 2016-05-26 US disclosed
US-20160122327-A1 STROBILURIN TYPE COMPOUNDS FOR COMBATING PHYTOPATHOGENIC FUNGI BASF SE (DE) 2016-05-05 US disclosed
US-9271501-B2 Use of strobilurin type compounds for combating phytopathogenic fungi resistant to QO inhibitors BASF SE (DE) 2016-03-01 US disclosed
US-20140323305-A1 Use of Strobilurin Type Compounds for Combating Phytopathogenic Fungi Resistant to QO Inhibitors BASF SE (DE) 2014-10-30 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 (5 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-20160122327-A1 STROBILURIN TYPE COMPOUNDS FOR COMBATING PHYTOPATHOGENIC FUNGI SNX1, DPM1, SNU13 NOTUM 2417/4885NPC1 634/4885RAB9A 2110/4885
US-20160145219-A1 STROBILURIN TYPE COMPOUNDS FOR COMBATING PHYTOPATHOGENIC FUNGI DPM1, CROCC, SNX1 NOTUM 2527/4885NPC1 753/4885RAB9A 2327/4885
US-20160145202-A1 Strobilurin Type Compounds for Combating Phytopathogenic Fungi DPM1, CROCC, SNX1 NOTUM 2527/4885NPC1 753/4885RAB9A 2327/4885
US-20140323305-A1 Use of Strobilurin Type Compounds for Combating Phytopathogenic Fungi Resistant to QO Inhibitors SQOR, COX5B, UQCRB NOTUM 3419/4885NPC1 601/4885RAB9A 1342/4885
US-20160249615-A1 Use of Strobilurin Type Compounds for Combating Phytopathogenic Fungi Resistant to QO Inhibitors SQOR, COX5B, UQCRB NOTUM 3419/4885NPC1 601/4885RAB9A 1342/4885

“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.