SCHEMBL9999784

SCHEMBL9999784

CCCCNc1c(C2CCN(C(=O)c3ccc(C#N)cc3)CC2)nc2ccccn12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.46
TSHR P16473 1/20 0.46
ATM Q13315 4/20 0.43
NPC1 O15118 3/20 0.43
RAB9A P51151 3/20 0.43
MAPK7 Q13164 1/20 0.42
FASN P49327 5/20 0.41
POLB P06746 1/20 0.41
KCNK3 O14649 3/20 0.41
KCNK9 Q9NPC2 3/20 0.41
NOS1 P29475 1/20 0.40
NOS2 P35228 1/20 0.40
EGLN1 Q9GZT9 1/20 0.40
GPR6 P46095 1/20 0.39
EPHX2 P34913 1/20 0.39
PRKAB2 O43741 1/20 0.39
PRKAG1 P54619 1/20 0.39
PRKAA2 P54646 1/20 0.39
PRKAA1 Q13131 1/20 0.39
PRKAG3 Q9UGI9 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
SCHEMBL1966796 0.79 ATM (0.49) ALDH1A1TSHRATMNPC1RAB9A
SCHEMBL1967026 0.76 ATM (0.46) ALDH1A1TSHRATMNPC1RAB9A
SCHEMBL8430024 0.66 ALDH1A1 (0.56) ALDH1A1MAPK7FASNNOS1NOS2
SCHEMBL10243643 0.65 FASN (0.58) FASN
SCHEMBL27528793 0.65 ALDH1A1 (0.51) ALDH1A1TSHRATMNPC1RAB9A
SCHEMBL13503971 0.64 GRM5 (0.69) ALDH1A1TSHRNPC1RAB9ANOS1
SCHEMBL11923382 0.64 MERTK (0.49) FASN
SCHEMBL16256936 0.64 KCNA5 (0.59) ALDH1A1
SCHEMBL6747493 0.64 ATM (0.65) ALDH1A1TSHRATMNPC1RAB9A
SCHEMBL16003042 0.64 EPHX2 (0.62) ALDH1A1FASNNOS1NOS2EPHX2

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 26 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8846914-B2 Compositions to effect neuronal growth NEURALSTEM, INC. (US) 2014-09-30 US disclosed
US-8846914-B2 Compositions to effect neuronal growth NEURALSTEM, INC. (US) 2014-09-30 US disclosed
US-20140147424-A1 COMPOSITIONS TO EFFECT NEURONAL GROWTH NEURALSTEM, INC. (US) 2014-05-29 US disclosed
US-20140147424-A1 COMPOSITIONS TO EFFECT NEURONAL GROWTH NEURALSTEM, INC. (US) 2014-05-29 US disclosed
US-8674098-B2 Compositions to effect neuronal growth NEURALSTEM, INC. (US) 2014-03-18 US disclosed
US-8674098-B2 Compositions to effect neuronal growth NEURALSTEM, INC. (US) 2014-03-18 US disclosed
US-20130195816-A1 COMPOSITIONS TO EFFECT NEURONAL GROWTH NEURALSTEM, INC. (US) 2013-08-01 US disclosed
US-20130195816-A1 COMPOSITIONS TO EFFECT NEURONAL GROWTH NEURALSTEM, INC. (US) 2013-08-01 US disclosed
US-8362262-B2 Compositions to effect neuronal growth NEURALSTEM, INC. (US) 2013-01-29 US disclosed
US-8362262-B2 Compositions to effect neuronal growth NEURALSTEM, INC. (US) 2013-01-29 US disclosed
US-20110135612-A1 COMPOSITIONS TO EFFECT NEURONAL GROWTH NEURALSTEM, INC. 2011-06-09 US disclosed
US-20110135612-A1 COMPOSITIONS TO EFFECT NEURONAL GROWTH NEURALSTEM, INC. 2011-06-09 US disclosed
US-20110052552-A1 COMPOSITIONS TO EFFECT NEURONAL GROWTH NEURALSTEM, INC. 2011-03-03 US disclosed
US-20110052552-A1 COMPOSITIONS TO EFFECT NEURONAL GROWTH NEURALSTEM, INC. 2011-03-03 US disclosed
US-7858628-B2 inhibiting neuronal death, inducing proliferation and differentiation of a neuronal progenitor cell into a neuron and increasing the number of neurons, in humans NEURALSTEM, INC. (US) 2010-12-28 US disclosed
US-7858628-B2 inhibiting neuronal death, inducing proliferation and differentiation of a neuronal progenitor cell into a neuron and increasing the number of neurons, in humans NEURALSTEM, INC. (US) 2010-12-28 US disclosed
US-20100034784-A1 inhibiting neuronal death, inducing proliferation and differentiation of a neuronal progenitor cell into a neuron and increasing the number of neurons, in humans NEURALSTEM, INC. (US) 2010-02-11 US disclosed
US-20100034784-A1 inhibiting neuronal death, inducing proliferation and differentiation of a neuronal progenitor cell into a neuron and increasing the number of neurons, in humans NEURALSTEM, INC. (US) 2010-02-11 US disclosed
US-7560553-B1 1-(Pyrid-4-yl-methyl-),4-((6-piperazino)pyrid-5-yl)-piperazine; proliferation/differentiation of human hippocampal multipotent stem/progenitor cells and neuronal progenitors; drug screening; learning enhancement; cognition activators; Alzheimer's disease; antidepressants; brain trauma; neuroprotectants NEURALSTEM, INC. (US) 2009-07-14 US disclosed
US-7560553-B1 1-(Pyrid-4-yl-methyl-),4-((6-piperazino)pyrid-5-yl)-piperazine; proliferation/differentiation of human hippocampal multipotent stem/progenitor cells and neuronal progenitors; drug screening; learning enhancement; cognition activators; Alzheimer's disease; antidepressants; brain trauma; neuroprotectants NEURALSTEM, INC. (US) 2009-07-14 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-20100034784-A1 inhibiting neuronal death, inducing proliferation and differentiation of a neuronal progenitor cell into a neuron and increasing the number of neurons, in humans DCX, MKI67, INA ALDH1A1 296/4885TSHR 4417/4885ATM 4119/4885
US-20140147424-A1 COMPOSITIONS TO EFFECT NEURONAL GROWTH GAP43, NGF, NEFM ALDH1A1 3582/4885TSHR 4076/4885ATM 3537/4885
US-20110052552-A1 COMPOSITIONS TO EFFECT NEURONAL GROWTH GAP43, NGF, NEFM ALDH1A1 3834/4885TSHR 3927/4885ATM 3592/4885
US-20110135612-A1 COMPOSITIONS TO EFFECT NEURONAL GROWTH GAP43, NGF, NEFM ALDH1A1 3582/4885TSHR 4076/4885ATM 3537/4885
US-20130195816-A1 COMPOSITIONS TO EFFECT NEURONAL GROWTH GAP43, NGF, NEFM ALDH1A1 3582/4885TSHR 4076/4885ATM 3537/4885

“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.